SCHEMBL4044547

SCHEMBL4044547

CCOC(=O)c1cn2ncnc(Nc3ccc(OC)nc3)c2c1C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.67
KDR P35968 13/20 0.60
EGFR P00533 5/20 0.59
ERBB2 P04626 5/20 0.59
MAPK14 Q16539 1/20 0.57

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
SCHEMBL4053673 0.92 KDR (0.68) MAP2K1KDREGFRERBB2MAPK14
SCHEMBL5522435 0.91 KDR (0.62) MAP2K1KDREGFRERBB2MAPK14
SCHEMBL5516129 0.90 EGFR (0.68) MAP2K1KDREGFRERBB2MAPK14
SCHEMBL7600802 0.88 KDR (0.57) MAP2K1KDREGFRERBB2MAPK14
SCHEMBL5740293 0.85 MAP2K1 (0.49) MAP2K1KDREGFRERBB2MAPK14
SCHEMBL4051995 0.83 EGFR (0.58) KDREGFRERBB2
SCHEMBL5740449 0.82 KDR (0.49) MAP2K1KDREGFRERBB2
SCHEMBL4049775 0.81 EGFR (0.58) MAP2K1KDREGFRERBB2
SCHEMBL14451959 0.80 KDR (0.48) MAP2K1KDREGFRMAPK14
SCHEMBL5739638 0.80 KDR (0.48) MAP2K1KDREGFRMAPK14

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 14 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-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885KDR 8/4885EGFR 27/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP2K1 602/4885KDR 8/4885EGFR 27/4885

“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.