SCHEMBL5605860

SCHEMBL5605860

CCOC(=O)c1cn2ncnc(Nc3ccc(C)c(C(=O)NOC)c3)c2c1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
MAPK14 Q16539 2/20 0.60
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55

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
SCHEMBL5605639 0.92 KDR (1.00) KDREGFRERBB2MAPK14FLT1
SCHEMBL5605857 0.90 KDR (0.82) KDRMAPK14FLT1FLT4
SCHEMBL5605837 0.90 KDR (0.81) KDRERBB2MAPK14FLT1FLT4
SCHEMBL5606094 0.89 KDR (0.80) KDRMAPK14
SCHEMBL5606365 0.87 KDR (1.00) KDREGFRERBB2MAPK14
SCHEMBL4051980 0.87 KDR (1.00) KDREGFRERBB2
SCHEMBL5606016 0.85 KDR (0.89) KDRERBB2MAPK14FLT1FLT4
SCHEMBL5606908 0.83 KDR (0.72) KDRMAPK14FLT1FLT4
SCHEMBL5605877 0.82 KDR (1.00) KDRERBB2FLT1FLT4
SCHEMBL5605872 0.81 KDR (1.00) KDRERBB2MAPK14FLT1FLT4

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 7/4885EGFR 80/4885ERBB2 11/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885EGFR 73/4885ERBB2 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.