SCHEMBL1751245

SCHEMBL1751245

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 1.00
MAPK11 Q15759 16/20 1.00
SMYD3 Q9H7B4 2/20 0.60
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
CHRNA7 P36544 1/20 0.50

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
SCHEMBL10090825 0.85 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1752546 0.83 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12
SCHEMBL27797948 0.83 MAPK14 (0.71) MAPK14MAPK11SMYD3CHRNA7
SCHEMBL6204355 0.83 MAPK14 (0.70) MAPK14MAPK11SMYD3CHRNA7
SCHEMBL6204351 0.83 MAPK14 (0.70) MAPK14MAPK11SMYD3CHRNA7
SCHEMBL243751 0.80 MAPK11 (0.70) MAPK14MAPK11MAPK13MAPK12
SCHEMBL21490165 0.80 SMYD3 (0.72) MAPK14MAPK11SMYD3CHRNA7
SCHEMBL241982 0.80 HDAC1 (0.68) MAPK14MAPK11MAPK13MAPK12
SCHEMBL19710134 0.80 SMYD3 (0.72) MAPK14MAPK11SMYD3CHRNA7
SCHEMBL24950457 0.80 SMYD3 (0.67) MAPK14MAPK11SMYD3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468717-B1 Heterocyclic Amide Compounds Useful as Kinase Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-20 EP disclosed
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
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-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-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
EP-2083816-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-05 EP 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
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 MAPK14 43/4885MAPK11 47/4885SMYD3 3767/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 MAPK14 43/4885MAPK11 47/4885SMYD3 3767/4885

“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.