SCHEMBL4044082

SCHEMBL4044082

CCOC(=O)c1cn2ncnc(O)c2c1OC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.52
EGFR P00533 4/20 0.47
ERBB2 P04626 4/20 0.47
MAP2K1 Q02750 1/20 0.45
MAPK14 Q16539 1/20 0.44
NR1H2 P55055 1/20 0.43

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
SCHEMBL4046229 0.86 KDR (0.48) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL1227597 0.85 MAP2K1 (0.55) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL5738165 0.82 KDR (0.39) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL7527323 0.82 KDR (0.46) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL12283713 0.80 AAK1 (0.48) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL4049387 0.77 KDR (0.88) KDREGFRERBB2MAP2K1
SCHEMBL14110568 0.76 NR1H2 (0.69) KDREGFRERBB2MAP2K1NR1H2
SCHEMBL16716631 0.76 MAP2K1 (0.56) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL5522435 0.76 KDR (0.62) KDREGFRERBB2MAP2K1MAPK14
SCHEMBL5149858 0.75 MAP2K1 (0.56) MAP2K1

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 17 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
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
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-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 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-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 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
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 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 (5 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 KDR 3890/4885EGFR 2025/4885ERBB2 409/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 KDR 3537/4885EGFR 1916/4885ERBB2 460/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885EGFR 27/4885ERBB2 3/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 KDR 8/4885EGFR 27/4885ERBB2 3/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 KDR 4348/4885EGFR 2477/4885ERBB2 533/4885

“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.