SCHEMBL5605872

SCHEMBL5605872

CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3F)c2c1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 1.00
MAPK14 Q16539 5/20 0.69
ERBB2 P04626 1/20 0.64
FLT1 P17948 1/20 0.63
FLT4 P35916 1/20 0.63
MAPK11 Q15759 1/20 0.58

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
SCHEMBL5606229 0.90 KDR (0.82) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5606016 0.89 KDR (0.89) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5596370 0.89 KDR (0.80) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5605877 0.89 KDR (1.00) KDRERBB2FLT1FLT4
SCHEMBL5596350 0.87 KDR (0.77) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5605639 0.86 KDR (1.00) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL5606365 0.85 KDR (1.00) KDRMAPK14ERBB2MAPK11
SCHEMBL5605976 0.85 KDR (0.74) KDRMAPK14ERBB2FLT1FLT4
SCHEMBL13593631 0.81 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL5605860 0.81 KDR (1.00) KDRMAPK14ERBB2FLT1FLT4

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 7 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
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

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 332/4885ERBB2 11/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885MAPK14 350/4885ERBB2 10/4885

“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.