SCHEMBL1226939

SCHEMBL1226939

Cc1[nH]c2ccc(Nc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)cc2c1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.59
▸ CYP3A4 P08684 6/20 0.58
▸ KMT2A Q03164 1/20 0.45
▸ EGFR P00533 3/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ EPHA2 P29317 1/20 0.39
▸ EPHB4 P54760 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
SCHEMBL1228137 0.87 KDR (0.60) KDRCYP3A4EGFRKCNH2
SCHEMBL1227705 0.85 KDR (0.59) KDRCYP3A4EGFR
SCHEMBL4373829 0.78 EGFR (0.67) KDREGFRKCNH2EPHA2EPHB4
Hydrochloric Acid SCHEMBL4373692 0.78 EGFR (0.66) KDREGFRKCNH2EPHA2EPHB4
SCHEMBL4374222 0.75 KDR (0.70) KDREGFREPHA2EPHB4
SCHEMBL4378628 0.74 KDR (0.70) KDREGFREPHA2EPHB4
SCHEMBL1227756 0.73 KDR (1.00) KDRCYP3A4EGFRKCNH2EPHB4
SCHEMBL4380962 0.73 EGFR (0.64) KDREGFR
SCHEMBL1226468 0.72 KDR (0.55) KDRCYP3A4KCNH2
SCHEMBL1227536 0.72 KDR (0.55) KDRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050124621-A1 Novel inhibitors of kinases BHIDE RAJEEV S (US) 2005-06-09 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 683/4885KMT2A 3232/4885
US-20050124621-A1 Novel inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 7/4885CYP3A4 3014/4885KMT2A 3513/4885
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 2215/4885KMT2A 2002/4885

“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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