SCHEMBL3520405

SCHEMBL3520405

Cc1c(C(=O)O)cnn1-c1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SPR P35270 4/20 0.45
NOTUM Q6P988 3/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.41
MAPK14 Q16539 3/20 0.40
KDM4E B2RXH2 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
SCHEMBL6052137 0.89 SMN1; SMN2 (0.52) NPC1RAB9ASPRSMN1; SMN2MAPK14
SCHEMBL13576996 0.89 MAPK1 (0.52) NPC1RAB9ASPRMAPK1SMN1; SMN2
SCHEMBL13184667 0.87 NPC1 (0.42) NPC1RAB9ASPRMAPK1MAPK14
SCHEMBL3373304 0.83 PTPN1 (0.55) PTPN1MAPK14
SCHEMBL13184666 0.83 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20604197 0.82 MAPK14 (0.57) NPC1RAB9ASPRNOTUMMAPK1
SCHEMBL15168322 0.81 MAPK1 (0.43) NPC1RAB9ASPRNOTUMMAPK1
SCHEMBL1074233 0.79 MAPK1 (0.58) NPC1RAB9ANOTUMMAPK1SMN1; SMN2
SCHEMBL6052382 0.78 MAPK1 (0.50) NPC1RAB9ASPRNOTUMMAPK1
SCHEMBL19128074 0.78 MYC (0.47) NPC1RAB9ASPRNOTUMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618092-B1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
EP-1618092-B1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
EP-2133348-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
EP-2133348-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
EP-1618092-A4 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
EP-1618092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
US-20050159424-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-07-21 US disclosed
WO-2004099156-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 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-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 NPC1 2010/4885RAB9A 2249/4885SPR 2031/4885
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 NPC1 2010/4885RAB9A 2249/4885SPR 2031/4885
US-20050159424-A1 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors MAPK6, CDK6, GRK6 NPC1 2010/4885RAB9A 2249/4885SPR 2031/4885

“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.