SCHEMBL14297084

SCHEMBL14297084

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.44
▸ MET P08581 2/20 0.44
▸ AXL P30530 1/20 0.42
▸ GCK P35557 2/20 0.41
▸ RAF1 P04049 4/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ DDR2 Q16832 2/20 0.38
▸ PYGL P06737 1/20 0.38
▸ PYGM P11217 1/20 0.38
▸ BRAF P15056 3/20 0.37
▸ PDGFRA P16234 2/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ RET P07949 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ KIT P10721 1/20 0.37

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
SCHEMBL105733 0.84 MET (0.44) KDRMETAXLGCKRAF1
SCHEMBL105737 0.84 KDR (0.42) KDRMETAXLRAF1ABL1
SCHEMBL107547 0.82 MET (0.46) METGCKBRAFMAPK14
SCHEMBL105748 0.79 MET (0.55) KDRMETAXLABL1DDR2
SCHEMBL10163381 0.76 NPC1 (0.46) KDRMETRAF1BRAF
SCHEMBL1137326 0.75 MET (0.44) KDRMETAXLGCKRAF1
SCHEMBL1137123 0.75 KDR (0.42) KDRMETAXLRAF1P2RX3
SCHEMBL29757310 0.75 GCK (0.56) KDRMETAXLGCKRAF1
SCHEMBL1137210 0.75 PKM (0.45) KDRMETAXLRAF1P2RX3
SCHEMBL5764943 0.74 RAF1 (0.47) KDRRAF1ABL1P2RX3BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637672-B2 Cyclopropyl dicarboxamides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-01-28 — — US disclosed
US-20120322834-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-12-20 — — 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 (1 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-20120322834-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 KDR 3640/4885MET 2169/4885AXL 4475/4885

“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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