SCHEMBL13765876

SCHEMBL13765876

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cccc(CC(N)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 10/20 0.73
▸ ABL1 P00519 9/20 0.73
▸ FGFR1 P11362 3/20 0.67
▸ KDR P35968 2/20 0.67
▸ CYP2C9 P11712 1/20 0.66
▸ PDGFRA P16234 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ FLT3 P36888 1/20 0.66
▸ LRRK2 Q5S007 1/20 0.66
▸ HDAC6 Q9UBN7 1/20 0.66

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
SCHEMBL13765916 0.90 ABL1 (0.79) KITABL1FGFR1KDRCYP2C9
SCHEMBL13765778 0.84 KIT (1.00) KITABL1FGFR1KDR
SCHEMBL4097590 0.84 ABL1 (0.74) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL19317717 0.84 ABL1 (0.84) KITABL1FGFR1KDRCYP2C9
SCHEMBL15498098 0.84 KIT (0.82) KITABL1FGFR1KDR
SCHEMBL31620735 0.84 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL4112245 0.83 ABL1 (1.00) KITABL1FGFR1KDRCYP2C9
SCHEMBL24626308 0.82 KIT (1.00) KITABL1FGFR1KDRCYP2C9
SCHEMBL24626458 0.82 KIT (0.84) KITABL1FGFR1KDRCYP2C9
SCHEMBL31620766 0.82 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA

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-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 — — 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA KIT 3086/4885ABL1 1035/4885FGFR1 3332/4885

“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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