SCHEMBL1226468

SCHEMBL1226468

Cc1c(OCCCN2CCCCC2)cn2ncnc(Cl)c12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL1227536 0.86 KDR (0.55) KDRCYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL12152930 0.82 KDR (0.37) KDRCYP3A4KCNH2
SCHEMBL1227475 0.79 KDR (0.63) KDRCYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL1226319 0.72 KDR (0.78) KDRCYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL1226888 0.72 KDR (0.65) KDRCYP3A4KCNH2
SCHEMBL1227537 0.72 KDR (0.72) KDRCYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL1227756 0.72 KDR (1.00) KDRCYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL1226939 0.72 KDR (0.59) KDRCYP3A4KCNH2
SCHEMBL5793986 0.72 KDR (0.56) KDRCYP3A4HRH3
SCHEMBL1228137 0.72 KDR (0.60) KDRCYP3A4KCNH2

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-1534290-B1 NOVEL INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2011-12-21 — — EP disclosed
EP-2280012-A2 Pyrrolo[2,1-f][1,2,4]triazine derivatives as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-02-02 — — EP disclosed
US-7820814-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-26 — — US disclosed
US-20090170853-A1 4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent (hepatocellular cancer, colorectal cancer or non-small cell lung cancer) BRISTOL-MYERS SQUIBB COMPANY 2009-07-02 — — US disclosed
US-7521450-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent BRISTOL-MYERS SQUIBB COMPANY 2007-12-27 — — US disclosed
US-7265113-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 — — US disclosed
EP-1534290-A4 NOVEL INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-11-29 — — EP disclosed
US-20050124621-A1 Novel inhibitors of kinases BHIDE RAJEEV S (US) 2005-06-09 — — US disclosed
EP-1534290-A2 NOVEL INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-06-01 — — EP disclosed
US-6869952-B2 Pyrrolo[2,1-f][1,2,4]triazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-03-22 — — US disclosed
US-20040072832-A1 Novel inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 — — US disclosed
WO-2004009784-A2 NOVEL INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 — — 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 (4 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-20090170853-A1 4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent (hepatocellular cancer, colorectal cancer or non-small cell lung cancer) FGFR1, FLT1, FLT4 KDR 6/4885CYP3A4 683/4885CYP2D6 1251/4885
US-20040072832-A1 Novel inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 6/4885CYP3A4 2931/4885CYP2D6 3264/4885
US-20050124621-A1 Novel inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 7/4885CYP3A4 3014/4885CYP2D6 3012/4885
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent FGFR1, FLT1, FGFR2 KDR 9/4885CYP3A4 2215/4885CYP2D6 2310/4885

“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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