SCHEMBL4050381

SCHEMBL4050381

COC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.70
EGFR P00533 4/20 0.69
ERBB2 P04626 2/20 0.69
MAPK14 Q16539 4/20 0.56
MAP2K1 Q02750 1/20 0.53

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
SCHEMBL16800546 0.91 EGFR (0.83) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL16800773 0.90 EGFR (0.66) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL1460848 0.88 KDR (0.79) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL5738803 0.84 EGFR (0.60) KDREGFRERBB2
SCHEMBL5511157 0.84 KDR (0.84) KDREGFRMAPK14MAP2K1
SCHEMBL4050059 0.83 KDR (0.66) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL5517509 0.82 KDR (0.85) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL4047606 0.82 KDR (0.74) KDREGFRERBB2MAPK14MAP2K1
SCHEMBL4051578 0.82 KDR (1.00) KDREGFRMAPK14
SCHEMBL4043507 0.82 KDR (1.00) KDREGFRMAPK14MAP2K1

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 10 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

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