SCHEMBL5511771

SCHEMBL5511771

Cc1cc2c(Nc3ccc(Br)cc3F)ncnn2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.58
▸ KDR P35968 4/20 0.58
▸ MAPK1 P28482 1/20 0.49
▸ RET P07949 2/20 0.47
▸ KIF5B P33176 1/20 0.47
▸ MAP4K4 O95819 5/20 0.46
▸ CLK1 P49759 2/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ DYRK1B Q9Y463 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL1460850 0.80 EGFR (0.56) EGFRKDRMAPK1RETKIF5B
SCHEMBL4043480 0.79 KDR (0.57) EGFRKDRMAPK1RETKIF5B
SCHEMBL1460830 0.78 EGFR (0.58) EGFRKDRMAPK1RETKIF5B
SCHEMBL4049767 0.73 KDR (0.62) KDRMAPK14
SCHEMBL5740297 0.71 KDR (0.46) EGFRKDRRETKIF5BMAPK14
SCHEMBL1459959 0.70 KDR (0.46) EGFRKDRMAPK1RETKIF5B
SCHEMBL4048475 0.69 EGFR (0.56) EGFRKDRRETKIF5BMAPK14
SCHEMBL5740699 0.68 EGFR (0.46) EGFRKDRRETKIF5BMAPK14
SCHEMBL4921800 0.66 MKNK1 (0.56) EGFRKDRMAPK1RETKIF5B
SCHEMBL12604714 0.66 KDR (0.65) EGFRKDRRETKIF5BMAPT

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-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-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-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 27/4885KDR 8/4885MAPK1 115/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 EGFR 27/4885KDR 8/4885MAPK1 115/4885

“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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