SCHEMBL10090804

SCHEMBL10090804

COC(=O)c1cnc(C(=O)c2ccccc2)n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC10 Q969S8 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 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
SCHEMBL12529639 0.84 ALDH1A1 (0.43) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL21879941 0.78 SMN1; SMN2 (0.47) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL8729771 0.77 CDC25B (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10938454 0.76 HDAC10 (0.55) RAB9ANPC1TSHRSMN1; SMN2HDAC10
SCHEMBL15201382 0.76 SMN1; SMN2 (0.46) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL23551376 0.76 NR4A2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1314013 0.76 RAB9A (0.53) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL28963850 0.74 CYP1A2 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4036067 0.72 ALDH1A1 (0.40) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL3335580 0.71 NPC1 (0.43) RAB9ANPC1TSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404689-B2 Heterocyclic amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8404689-B2 Heterocyclic amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
EP-2468717-A1 Heterocyclic Amide Compounds Useful as Kinase Inhibitors Bristol-Myers Squibb Company (US) 2012-06-27 EP disclosed
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-06-30 US disclosed
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-06-30 US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
WO-2008057775-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 RAB9A 796/4885NPC1 1481/4885TSHR 2799/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 RAB9A 796/4885NPC1 1481/4885TSHR 2799/4885

“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.