SCHEMBL4100695

SCHEMBL4100695

CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCC(C)C)c(C)c23)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.82
MAPK11 Q15759 1/20 0.82

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
SCHEMBL4100716 0.93 MAPK14 (0.81) MAPK14MAPK11
SCHEMBL4399819 0.90 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4415407 0.90 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL12663458 0.89 MAPK14 (0.88) MAPK14MAPK11
SCHEMBL4406674 0.89 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4412457 0.89 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL16576239 0.88 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4111931 0.88 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4102148 0.88 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL5729350 0.88 MAPK14 (1.00) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US claimed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US claimed
EP-1562949-B1 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 EP disclosed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
US-7211666-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 US disclosed
US-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors GODFREY JOLLIE D JR (US) 2005-05-19 US disclosed
US-6867300-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 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 (4 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 MAPK14 29/4885MAPK11 38/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 MAPK14 29/4885MAPK11 33/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 MAPK14 288/4885MAPK11 352/4885
US-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors CSNK2A1, CSNK1A1, NEK2 MAPK14 266/4885MAPK11 389/4885

“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.