SCHEMBL107547

SCHEMBL107547

CNc1cc(C)c(Oc2ccnc(N)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.46
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ NOS2 P35228 2/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ TGFBR1 P36897 1/20 0.38
▸ BRAF P15056 2/20 0.37
▸ GCK P35557 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL15869796 0.83 NOS3 (0.47) METALOX5APFEN1NOS3NOS1
SCHEMBL14297084 0.82 KDR (0.44) METMAPK14BRAFGCK
SCHEMBL107558 0.80 MET (0.48) METMAPK14BRAF
SCHEMBL106578 0.74 MET (0.56) MET
SCHEMBL4325879 0.73 NOS3 (0.51) METALOX5APFEN1NOS3NOS1
SCHEMBL14742548 0.73 MET (0.49) METALOX5APFEN1NOS3NOS1
SCHEMBL12329516 0.72 NOS3 (0.50) METALOX5APFEN1NOS3NOS1
SCHEMBL2413935 0.70 SCN9A (0.36) METALOX5APFEN1NOS3NOS1
SCHEMBL1136810 0.70 MET (0.55) METALOX5APFEN1NOS3NOS1
SCHEMBL28510567 0.70 MET (0.62) METALOX5APFEN1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218130-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC 2015-08-06 — — US disclosed
US-20120252849-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHAMACEUTICALS, LLC (US) 2012-10-04 — — US disclosed
US-20120058985-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-08 — — 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-20120252849-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MET 2169/4885ALOX5AP 4111/4885FEN1 2638/4885
US-20120058985-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MET 2169/4885ALOX5AP 4111/4885FEN1 2638/4885
US-20150218130-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES TP53, RCC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MET 2169/4885ALOX5AP 4111/4885FEN1 2638/4885

“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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