SCHEMBL4049575

SCHEMBL4049575

COC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnn2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.69
KDR P35968 6/20 0.69
ERBB2 P04626 4/20 0.57
MAP4K4 O95819 5/20 0.53
MAPK14 Q16539 1/20 0.52
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CSNK2A1 P68400 1/20 0.48
AURKA O14965 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
CLK1 P49759 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL27871976 0.89 EGFR (0.69) EGFRKDRERBB2MAP4K4CSNK2A1
SCHEMBL5739790 0.85 EGFR (0.66) EGFRKDRERBB2AURKAINSR
SCHEMBL4050381 0.81 KDR (0.70) EGFRKDRERBB2MAPK14
SCHEMBL4045312 0.75 MAPK14 (0.51) EGFRKDRERBB2MAP4K4MAPK14
SCHEMBL5738803 0.75 EGFR (0.60) EGFRKDRERBB2AURKAINSR
SCHEMBL28760161 0.75 EGFR (1.00) EGFRKDRERBB2MAP4K4
SCHEMBL16800546 0.74 EGFR (0.83) EGFRKDRERBB2MAPK14
SCHEMBL4047226 0.74 ERBB2 (0.85) EGFRERBB2
SCHEMBL16800773 0.74 EGFR (0.66) EGFRKDRERBB2MAPK14
SCHEMBL4052320 0.73 EGFR (1.00) EGFRKDRERBB2

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 13 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
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
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 (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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885KDR 8/4885ERBB2 3/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885KDR 8/4885ERBB2 3/4885

“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.