SCHEMBL5252890

SCHEMBL5252890

O=C(NCc1cccc2c1OCO2)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ ERCC1 P07992 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ ERCC4 Q92889 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL5123518 0.83 HPGD (0.62) KDM4ESMN1; SMN2HPGDLMNAKMT2A
SCHEMBL5122895 0.82 SMN1; SMN2 (0.47) ROCK2ROCK1CYP2C9ADORA2AADORA1
SCHEMBL5122062 0.81 KDM4E (0.44) KDM4ENPC1SMN1; SMN2RAB9AERCC1
SCHEMBL5127644 0.81 POLB (0.43) KDM4ENPC1SMN1; SMN2RAB9AERCC1
SCHEMBL5119262 0.81 KMT2A (0.53) KDM4ENPC1SMN1; SMN2RAB9AERCC1
SCHEMBL5251255 0.81 HPGD (0.47) KDM4ENPC1SMN1; SMN2HPGDRAB9A
SCHEMBL5114712 0.81 POLB (0.53) ADORA2AADORA1KDM4ENPC1SMN1; SMN2
SCHEMBL5252286 0.81 HPGD (0.55) KDM4ENPC1SMN1; SMN2HPGDRAB9A
SCHEMBL5128865 0.81 SMN1; SMN2 (0.45) KDM4ENPC1SMN1; SMN2RAB9AERCC1
SCHEMBL5123552 0.80 SMN1; SMN2 (0.61) KDM4ENPC1SMN1; SMN2HPGDRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 — — US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 — — US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 — — US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 — — US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 — — US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 — — US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 — — US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 — — EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 — — 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP ROCK2 2561/4885ROCK1 2419/4885CYP3A4 233/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ROCK2 2438/4885ROCK1 2523/4885CYP3A4 213/4885

“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.

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