SCHEMBL4046095

SCHEMBL4046095

CCOC(=O)c1cn2ncnc(Cl)c2c1CC

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.60
ERBB2 P04626 8/20 0.60
KDR P35968 9/20 0.53
MAP2K1 Q02750 1/20 0.45
NR1H2 P55055 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL1730673 0.88 EGFR (0.50) EGFRERBB2KDRMAPK14
SCHEMBL1226304 0.87 MAP2K1 (0.54) EGFRERBB2KDRMAP2K1NR1H2
SCHEMBL4046229 0.84 KDR (0.48) EGFRERBB2KDRMAP2K1NR1H2
SCHEMBL16646777 0.82 EGFR (0.46) EGFRERBB2KDRMAP2K1MAPK14
SCHEMBL7527323 0.80 KDR (0.46) EGFRERBB2KDRMAP2K1MAPK14
SCHEMBL5512127 0.78 EGFR (0.70) EGFRERBB2KDRMAP2K1MAPK14
SCHEMBL4046184 0.78 EGFR (0.73) EGFRERBB2KDRMAP2K1
SCHEMBL4051045 0.77 EGFR (0.85) EGFRERBB2KDRMAP2K1
SCHEMBL5518947 0.77 EGFR (0.68) EGFRERBB2KDRMAP2K1MAPK14
SCHEMBL4045338 0.77 EGFR (0.52) EGFRERBB2KDRMAP2K1MAPK14

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 EGFR 27/4885ERBB2 3/4885KDR 8/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885ERBB2 3/4885KDR 8/4885

“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.