SCHEMBL966397

SCHEMBL966397

COC(=O)c1nc(Br)c2cccnc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PSMD14 O00487 1/20 0.43
MAP2K1 Q02750 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
BRD4 O60885 1/20 0.41
COMT P21964 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSB P07858 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL4065155 0.87 KDM4E (0.55) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL3241312 0.86 KDM4E (0.54) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL969790 0.85 KDM4E (0.47) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL4062569 0.84 KDM4E (0.52) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL13993803 0.84 KDM4E (0.52) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL3239918 0.83 KDM4E (0.51) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL7258792 0.83 KDM4E (0.51) KDM4EL3MBTL1PSMD14MAP2K1EGLN1
SCHEMBL4071983 0.82 KDM4E (0.56) KDM4EL3MBTL1KMT2AMEN1HTT
SCHEMBL27989489 0.81 ERCC1 (0.50) KDM4EKMT2AMEN1HTTEGLN1
SCHEMBL7258018 0.80 KDM4E (0.48) KDM4EL3MBTL1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709162-B Tri-substituted imidazole benzodiazine ketonic compound and its production and use 中国科学院上海药物研究所 2016-12-07 CN disclosed
CN-102558172-B 5,8-bis-replaces-1,6-naphthyridine-7-amidocarbonylation compound and dimer compound thereof, Preparation Method And The Use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-25 CN disclosed
EP-2675803-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS Elanco Animal Health Ireland Limited (IE) 2013-12-25 EP disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
CN-101684119-B 5,8-disubstituted-1,6-quinazoline-7-amidocarbonylation compound, preparing method, composite and application thereof SHANGHAI INST MATERIA MEDICA 2012-11-28 CN disclosed
WO-2003077850-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor MERCK & CO., INC. 2003-06-26 US disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2003016309-A1 PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016315-A1 SODIUM SALT OF AN HIV INTEGRASE INHIBITOR MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003016294-A1 PROCESS FOR PREPARING SULTAMS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO 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 (3 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-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP KDM4E 1395/4885L3MBTL1 2476/4885KMT2A 1131/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KDM4E 288/4885L3MBTL1 1918/4885KMT2A 61/4885
US-20030119823-A1 Sodium salt of an HIV integrase inhibitor IMPA1, IMPDH1, SLC28A1 KDM4E 2079/4885L3MBTL1 1573/4885KMT2A 195/4885

“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.