SCHEMBL14140810

SCHEMBL14140810

CCCOc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.77
▸ CYP3A4 P08684 12/20 0.77
▸ KCNH2 Q12809 3/20 0.77
▸ FGFR1 P11362 5/20 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
SCHEMBL1227548 0.92 KDR (0.77) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1227649 0.91 KDR (0.76) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL12899428 0.91 KDR (0.79) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1227552 0.91 KDR (0.77) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1227526 0.91 KDR (0.78) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL3451491 0.91 KDR (0.78) KDRCYP3A4KCNH2FGFR1STK10
Methane SCHEMBL5605672 0.91 KDR (0.75) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1226909 0.90 KDR (0.79) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1226919 0.90 KDR (0.74) KDRCYP3A4KCNH2FGFR1STK10
SCHEMBL1227708 0.89 KDR (0.75) KDRCYP3A4KCNH2FGFR1STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212679-A1 Method for Predicting Effectiveness of Angiogenesis Inhibitor EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-07-06 — — US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 — — CN disclosed
EP-2663283-B1 HIGH DRUG LOAD TABLET FORMULATION OF BRIVANIB ALANINATE BRISTOL MYERS SQUIBB CO (US) 2017-05-10 — — EP disclosed
US-20130236483-A1 FGF MODULATION OF IN VIVO ANTIBODY PRODUCTION AND HUMORAL IMMUNITY BUSH ANDREW B (US) 2013-09-12 — — US disclosed
EP-2010538-B1 PROCESS FOR THE PREPARATION OF Ý(1R), 2S¨-2-AMINOPROPIONIC ACID 2-Ý4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLOÝ2,1-f¨Ý1,2,4¨TRIAZIN-6-YLOXY¨-1-METHYLETHYL ESTER BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP 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-20230212679-A1 Method for Predicting Effectiveness of Angiogenesis Inhibitor VEGFA, BRAF, FLT4 KDR 4/4885CYP3A4 4446/4885KCNH2 4658/4885
US-20130236483-A1 FGF MODULATION OF IN VIVO ANTIBODY PRODUCTION AND HUMORAL IMMUNITY FGF2, FGF1, FGFR2 KDR 130/4885CYP3A4 4861/4885KCNH2 4677/4885

“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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