SCHEMBL9967321

SCHEMBL9967321

CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.78
MAPK14 Q16539 7/20 0.74
MAPK13 O15264 5/20 0.69
MAPK12 P53778 4/20 0.69
MAPK11 Q15759 4/20 0.69
PTK2 Q05397 8/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
DDR2 Q16832 2/20 0.62
CYP2C8 P10632 1/20 0.60
CCNC P24863 1/20 0.58
JAK2 O60674 1/20 0.57

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
SCHEMBL1600309 0.91 CDK8 (0.82) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL25729256 0.89 CDK8 (0.62) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL25793170 0.89 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL19303194 0.87 CDK8 (1.00) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL15946922 0.87 CDK8 (0.76) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL18744685 0.87 CDK8 (0.76) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL13791346 0.86 MAPK14 (0.79) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL19669083 0.85 CDK8 (0.72) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL13741201 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL20376321 0.84 MAPK14 (0.57) CDK8MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20170182039-A1 INHIBITOR OF p38 MAP KINASE TOPIVERT PHARMA LTD. (GB) 2017-06-29 US disclosed
US-9624196-B2 Inhibitor of p38 MAP kinase RESPIVERT LTD. (GB) 2017-04-18 US disclosed
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE RESPIVERT LIMITED (GB) 2016-12-22 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9447076-B2 Inhibitor of p38 map kinase RESPIVERT LTD. (GB) 2016-09-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE RESPIVERT LIMITED (GB) 2015-08-20 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-8202899-B2 Pyrazole urea derivatives used as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-06-19 US disclosed
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-30 US 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 (6 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-20170182039-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAP3K1 CDK8 390/4885MAPK14 5/4885MAPK13 4/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CDK8 66/4885MAPK14 113/4885MAPK13 199/4885
US-20160368896-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPK4, MAPK8 CDK8 681/4885MAPK14 13/4885MAPK13 10/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CDK8 66/4885MAPK14 113/4885MAPK13 199/4885
US-20150232450-A1 INHIBITOR OF p38 MAP KINASE MAPK1, MAPKAPK2, MAPK10 CDK8 477/4885MAPK14 9/4885MAPK13 16/4885
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS MAP3K1, MAP3K19, MAP3K13 CDK8 117/4885MAPK14 105/4885MAPK13 100/4885

“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.