SCHEMBL5605837

SCHEMBL5605837

CONC(=O)c1cc(Nc2ncnn3cc(C(=O)O)c(C(C)C)c23)ccc1C

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.81
MAPK14 Q16539 7/20 0.55
MAPK11 Q15759 1/20 0.51
ERBB2 P04626 1/20 0.51
LCK P06239 1/20 0.51
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL5605857 0.94 KDR (0.82) KDRMAPK14MAPK11FLT1FLT4
SCHEMBL5606094 0.92 KDR (0.80) KDRMAPK14MAPK11
SCHEMBL5605860 0.90 KDR (1.00) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5596843 0.85 KDR (0.72) KDRERBB2LCKFGFR1FLT1
SCHEMBL27888151 0.85 KDR (0.78) KDRFLT1FLT4
SCHEMBL5606908 0.85 KDR (0.72) KDRMAPK14FLT1FLT4
SCHEMBL6346539 0.84 KDR (0.66) KDRMAPK14MAPK11ERBB2
SCHEMBL5605639 0.81 KDR (1.00) KDRMAPK14ERBB2LCKFGFR1
SCHEMBL5606960 0.80 KDR (0.80) KDRERBB2LCKFGFR1FLT1
SCHEMBL5596370 0.79 KDR (0.80) KDRMAPK14ERBB2LCKFGFR1

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 6 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 disclosed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US disclosed
US-6951859-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-04 US disclosed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP disclosed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885MAPK14 332/4885MAPK11 352/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885MAPK14 350/4885MAPK11 369/4885

“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.