SCHEMBL2270437

SCHEMBL2270437

CC(C)Nc1nc2ccc(C(C#N)C(=O)c3ccccc3F)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
MAPK14 Q16539 4/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4753735 0.82 NPC1 (0.32) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL2275901 0.75 KMT2A (0.40) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL2274683 0.72 MAPK14 (0.47) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL2274679 0.72 MAPK14 (0.47) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL4693524 0.72 MAPK14 (0.38) RAB9AKMT2ANPC1MEN1MAPK14
SCHEMBL13962776 0.71 CES2 (0.37) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL2270457 0.70 NPC1 (0.52) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL2273613 0.68 ALDH1A1 (0.35) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL2278283 0.68 USP8 (0.35) RAB9AKMT2ANPC1MEN1HTT
SCHEMBL14619279 0.68 MAPK14 (0.36) RAB9AKMT2ANPC1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910348-B1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
EP-1910348-B1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
WO-2008145721-A2 N-TERMINAL MODIFICATION OF POLYPEPTIDES FOR PROTECTION AGAINST DEGRADATION BY AMINOPEPTIDASES NOVO NORDISK A/S (DK) 2008-12-04 WO disclosed
EP-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 EP disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 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 (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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 RAB9A 263/4885KMT2A 1500/4885NPC1 2175/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 RAB9A 345/4885KMT2A 1422/4885NPC1 2260/4885

“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.