SCHEMBL1227590

SCHEMBL1227590

CC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.75
▸ CYP3A4 P08684 12/20 0.75
▸ FGFR1 P11362 5/20 0.75
▸ KCNH2 Q12809 3/20 0.75
▸ STK10 O94804 2/20 0.75
▸ MAP4K4 O95819 2/20 0.75
▸ RET P07949 2/20 0.75
▸ PDGFRB P09619 2/20 0.75
▸ DDR1 Q08345 2/20 0.75
▸ SLK Q9H2G2 2/20 0.75
▸ EPHB6 O15197 1/20 0.75
▸ RIPK2 O43353 1/20 0.75
▸ ABL1 P00519 1/20 0.75
▸ EGFR P00533 1/20 0.75
▸ LCK P06239 1/20 0.75
▸ CSF1R P07333 1/20 0.75
▸ HCK P08631 1/20 0.75
▸ KIT P10721 1/20 0.75
▸ SRC P12931 1/20 0.75
▸ PDGFRA P16234 1/20 0.75

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
SCHEMBL1227092 0.92 KDR (0.73) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL14111459 0.92 KDR (0.62) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1226645 0.90 KDR (0.76) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227392 0.88 KDR (0.75) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227552 0.87 KDR (0.77) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL3451491 0.86 KDR (0.78) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL14140810 0.86 KDR (0.77) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227548 0.86 KDR (0.77) KDRCYP3A4FGFR1KCNH2STK10
Brivanib SCHEMBL1227112 0.85 KDR (1.00) KDRCYP3A4FGFR1KCNH2STK10
Brivanib SCHEMBL29354510 0.85 KDR (1.00) KDRCYP3A4FGFR1KCNH2STK10

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980605-B2 Ketoreductases and uses thereof CODEXIS, INC. (US) 2015-03-17 — — US claimed
US-20130196408-A1 KETOREDUCTASES AND USES THEREOF CODEXIS, INC. (US) 2013-08-01 — — US claimed
EP-2115130-B1 KETOREDUCTASES AND USES THEREOF CODEXIS INC (US) 2011-08-03 — — EP claimed
US-7820421-B2 capable of reducing or converting the compound I-[4-(4-fluoro2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2-one to the corresponding product (R) 1-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2- CODEXIS, INC. (US) 2010-10-26 — — US claimed
EP-2115130-A1 KETOREDUCTASES AND USES THEREOF Codexis, Inc. (US) 2009-11-11 — — EP claimed
US-20080318295-A1 capable of reducing or converting the compound I-[4-(4-fluoro2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2-one to the corresponding product (R) 1-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2- CODEXIS, INC. (US) 2008-12-25 — — US claimed
WO-2008103248-A1 KETOREDUCTASES AND USES THEREOF CODEXIS, INC. (US) 2008-08-28 — — WO claimed
US-8980605-B2 Ketoreductases and uses thereof CODEXIS, INC. (US) 2015-03-17 — — US disclosed
US-8980605-B2 Ketoreductases and uses thereof CODEXIS, INC. (US) 2015-03-17 — — US disclosed
US-20130196408-A1 KETOREDUCTASES AND USES THEREOF CODEXIS, INC. (US) 2013-08-01 — — US disclosed
US-20130196408-A1 KETOREDUCTASES AND USES THEREOF CODEXIS, INC. (US) 2013-08-01 — — US disclosed
US-8415127-B2 Ketoreductases and uses thereof CODEXIS, INC. (US) 2013-04-09 — — US disclosed
US-8415127-B2 Ketoreductases and uses thereof CODEXIS, INC. (US) 2013-04-09 — — US disclosed
US-7393667-B2 Stereoselective reduction process for the preparation of pyrrolotriazine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-01 — — 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-20060286646-A1 STEREOSELECTIVE REDUCTION PROCESS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 — — 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
US-20040072832-A1 Novel inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-15 — — 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 (5 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-20080318295-A1 capable of reducing or converting the compound I-[4-(4-fluoro2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2-one to the corresponding product (R) 1-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2- AKR1A1, TKT, AKR1B1 KDR 1475/4885CYP3A4 335/4885FGFR1 2140/4885
US-20060286646-A1 STEREOSELECTIVE REDUCTION PROCESS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS ADH1C, ADH5, ADH1A KDR 4188/4885CYP3A4 76/4885FGFR1 2346/4885
US-20040072832-A1 Novel inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 6/4885CYP3A4 2931/4885FGFR1 1/4885
US-20050124621-A1 Novel inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 7/4885CYP3A4 3014/4885FGFR1 1/4885
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 2215/4885FGFR1 1/4885

“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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