SCHEMBL13765894

SCHEMBL13765894

Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.85
▸ KIT P10721 5/20 0.85
▸ RET P07949 1/20 0.72
▸ FGFR1 P11362 6/20 0.67
▸ KDR P35968 5/20 0.67
▸ CYP2C9 P11712 1/20 0.64
▸ PDGFRA P16234 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ LRRK2 Q5S007 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ DDR1 Q08345 1/20 0.64

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
SCHEMBL20136957 0.92 ABL1 (0.89) ABL1KITRETFGFR1KDR
SCHEMBL13765778 0.92 KIT (1.00) ABL1KITRETFGFR1KDR
SCHEMBL29571097 0.92 ABL1 (0.89) ABL1KITRETFGFR1KDR
SCHEMBL4100122 0.88 ABL1 (0.71) ABL1KITFGFR1KDRCYP2C9
SCHEMBL13765888 0.86 ABL1 (0.72) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13772003 0.85 RET (0.70) ABL1KITRET
SCHEMBL588523 0.84 ABL1 (1.00) ABL1KITRETFGFR1KDR
SCHEMBL29618190 0.84 ABL1 (1.00) ABL1KITRETFGFR1KDR
SCHEMBL30464941 0.84 ABL1 (1.00) ABL1KITRETFGFR1KDR
SCHEMBL9611002 0.84 ABL1 (0.86) ABL1KITRETFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 — — 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 ABL1 1035/4885KIT 3086/4885RET 4873/4885

“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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