SCHEMBL4053007

SCHEMBL4053007

Cc1c(C(=O)N(C)CCCN2CCOCC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.41
CHEK1 O14757 1/20 0.38
MAPK14 Q16539 1/20 0.37
HTR7 P34969 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MET P08581 2/20 0.36
SYK P43405 2/20 0.35
TACR1 P25103 1/20 0.34
TACR2 P21452 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4046050 0.88 HRH3 (0.37) KDRHTR7
SCHEMBL4042728 0.86 KDR (0.57) KDRMAPK14MEN1KMT2AKDM4E
SCHEMBL4044052 0.85 KDR (0.54) KDRMAPK14MEN1KMT2AKDM4E
SCHEMBL1461285 0.84 MAPK14 (0.53) KDRMAPK14MEN1KMT2AMET
SCHEMBL4042710 0.81 CHEK1 (0.39) KDRCHEK1MAPK14MEN1KMT2A
SCHEMBL4050351 0.80 MAP2K1 (0.44) KDRMEN1KMT2ARAB9AMET
SCHEMBL5514529 0.79 MAP2K1 (0.44) KDRCHEK1MAPK14MEN1KMT2A
SCHEMBL1462059 0.79 MET (0.37) KDRMAPK14HTR7MET
SCHEMBL4051616 0.79 KDR (0.55) KDRMAPK14KDM4EMETALDH1A1
SCHEMBL4044523 0.78 CHEK1 (0.39) KDRCHEK1MAPK14HTR7MEN1

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 15 patents. 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
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
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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 (3 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 KDR 3537/4885CHEK1 338/4885MAPK14 29/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885CHEK1 1143/4885MAPK14 548/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885CHEK1 1143/4885MAPK14 548/4885

“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.