SCHEMBL4052170

SCHEMBL4052170

COC(Cc1c(C(=O)O)cn2ncnc(Nc3ccc(Br)cc3F)c12)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ KDR P35968 14/20 0.39
▸ FLT1 P17948 5/20 0.39
▸ FLT4 P35916 5/20 0.39
▸ FGFR1 P11362 3/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ RET P07949 1/20 0.37
▸ KIF5B P33176 1/20 0.37

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
SCHEMBL4219191 0.76 KDR (0.48) EGFRERBB2MAP2K1KDRFLT1
SCHEMBL4049767 0.74 KDR (0.62) KDRMAPK14
SCHEMBL4050287 0.74 MAPK14 (0.48) EGFRMAP2K1KDRFLT1FLT4
SCHEMBL4216555 0.72 KDR (0.42) EGFRERBB2MAP2K1KDRFLT1
SCHEMBL4048475 0.72 EGFR (0.56) EGFRERBB2MAP2K1KDRFLT1
SCHEMBL5740297 0.71 KDR (0.46) EGFRKDRMAPK14RETKIF5B
SCHEMBL5740699 0.67 EGFR (0.46) EGFRERBB2KDRFLT1FLT4
SCHEMBL1460830 0.64 EGFR (0.58) EGFRERBB2KDRFLT1FLT4
SCHEMBL1459959 0.63 KDR (0.46) EGFRERBB2MAP2K1KDRFLT1
SCHEMBL5511771 0.62 EGFR (0.58) EGFRKDRMAPK14RETKIF5B

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 11 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-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 3/4885MAP2K1 602/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885ERBB2 3/4885MAP2K1 602/4885

“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.

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