SCHEMBL82602

SCHEMBL82602

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N1CCOCC1C2O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 9/20 0.51
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.39
SLC22A2 O15244 3/20 0.39
CYP3A4 P08684 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL93059 0.86 POU2F2 (0.42) POU2F2TP53LMNAKMT2AMAPT
SCHEMBL17005272 0.85 POU2F2 (0.45) POU2F2LMNASLC22A2MAPT
SCHEMBL13601065 0.84 LMNA (0.46) POU2F2TP53LMNAKMT2AMAPT
SCHEMBL2187039 0.84 POU2F2 (0.44) POU2F2SLC22A2
SCHEMBL81275 0.77 POU2F2 (0.50) POU2F2LMNASLC22A2CYP3A4MAPT
SCHEMBL4157354 0.77 POU2F2 (0.51) POU2F2LMNASLC22A2CYP3A4TMEM97
SCHEMBL81251 0.76 SLC22A2 (0.57) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4159018 0.76 KMT2A (0.46) POU2F2TP53LMNAKMT2ASLC22A2
SCHEMBL10283453 0.75 POU2F2 (0.51) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186003 0.75 POU2F2 (0.45) POU2F2TP53SLC22A2CYP3A4TMEM97

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
EP-3187225-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2022-01-05 EP disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
US-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity SHINOGI & CO., LTD. (JP) 2021-02-23 US disclosed
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-09-19 US disclosed
EP-3284520-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2019-06-05 EP disclosed
EP-3045206-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2016-07-20 EP disclosed
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2016-05-19 US disclosed
US-9051337-B2 Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2015-06-09 US disclosed
US-20140200209-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2014-07-17 US disclosed
US-8778943-B2 Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-α]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2014-07-15 US disclosed
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2013-07-04 US disclosed
US-8410103-B2 (3S,11aR)-N-[2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide useful as anti-HIV agent SHIONOGI & CO., LTD. (JP) 2013-04-02 US disclosed
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity DUT, DPYD, IMPDH1 POU2F2 721/4885TP53 3567/4885LMNA 3948/4885
US-20140200209-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POU2F2 583/4885TP53 2396/4885LMNA 4751/4885
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 POU2F2 2818/4885TP53 901/4885LMNA 2002/4885
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS NR4A1, NR4A2, NR4A3 POU2F2 539/4885TP53 2651/4885LMNA 4792/4885
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POU2F2 606/4885TP53 2384/4885LMNA 4751/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 POU2F2 2847/4885TP53 909/4885LMNA 1966/4885
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POU2F2 553/4885TP53 2311/4885LMNA 4749/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL POU2F2 2430/4885TP53 570/4885LMNA 2795/4885
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 POU2F2 606/4885TP53 2384/4885LMNA 4751/4885
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A2, NR4A3 POU2F2 452/4885TP53 4248/4885LMNA 4324/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 POU2F2 606/4885TP53 2384/4885LMNA 4751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.