SCHEMBL4044133

SCHEMBL4044133

COc1c(NCCCCN2CCOCC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
HTR7 P34969 5/20 0.38
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 4/20 0.35
PDPK1 O15530 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4047710 0.92 HTR7 (0.40) CHEK1HTR7FGFR1SRC
SCHEMBL5516119 0.84 KDR (0.48) ALDH1A1TSHRKDM4EKMT2ARAB9A
SCHEMBL5514529 0.81 MAP2K1 (0.44) CHEK1ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL4044052 0.80 KDR (0.54) SMN1; SMN2NPSR1KDM4EKMT2ARAB9A
SCHEMBL4050351 0.79 MAP2K1 (0.44) ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL4042710 0.79 CHEK1 (0.39) CHEK1NPSR1KDM4EKMT2AMAPK14
SCHEMBL4044523 0.79 CHEK1 (0.39) CHEK1HTR7ALDH1A1NPSR1KDM4E
SCHEMBL4042728 0.77 KDR (0.57) ALDH1A1SMN1; SMN2TSHRNPSR1KDM4E
SCHEMBL1461285 0.75 MAPK14 (0.53) SMN1; SMN2KMT2AMAPK14MEN1KDR
SCHEMBL4044556 0.74 PDE4A (0.41) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 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
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
EP-1562949-A4 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-09-12 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1562949-A2 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-08-17 EP 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-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
WO-2004043912-A2 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US disclosed
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 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 CHEK1 227/4885HTR7 1677/4885ALDH1A1 3836/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 CHEK1 338/4885HTR7 1685/4885ALDH1A1 4117/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 CHEK1 1143/4885HTR7 1471/4885ALDH1A1 1255/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 CHEK1 515/4885HTR7 1264/4885ALDH1A1 3580/4885
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 CHEK1 594/4885HTR7 1315/4885ALDH1A1 3233/4885
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors PRKD2, CSNK1A1, CSNK2A1 CHEK1 251/4885HTR7 1273/4885ALDH1A1 3855/4885

“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.