SCHEMBL5596385

SCHEMBL5596385

CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1C

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.90
FGFR1 P11362 18/20 0.90
FLT1 P17948 17/20 0.90
FLT4 P35916 17/20 0.90
FGFR2 P21802 16/20 0.90
FGFR4 P22455 16/20 0.90
FGFR3 P22607 16/20 0.90
CYP1A2 P05177 1/20 0.90
CYP3A4 P08684 1/20 0.90
CYP2C9 P11712 1/20 0.90
LCK P06239 3/20 0.72
ERBB2 P04626 1/20 0.72

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
SCHEMBL30737860 0.95 KDR (1.00) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5596818 0.95 KDR (1.00) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5596773 0.89 KDR (0.79) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5596389 0.86 KDR (0.68) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5616804 0.86 KDR (0.79) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5596843 0.86 KDR (0.72) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL27218114 0.85 KDR (0.81) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL26928301 0.84 KDR (1.00) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5605850 0.82 KDR (0.72) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL5606357 0.81 KDR (0.70) KDRFGFR1FLT1FLT4FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543009-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US claimed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP claimed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO claimed

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-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885FGFR1 1/4885FLT1 2/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885FGFR1 1/4885FLT1 2/4885

“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.