SCHEMBL4100122

SCHEMBL4100122

Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1C#Cc1cnccn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.71
▸ KIT P10721 6/20 0.69
▸ FGFR1 P11362 3/20 0.64
▸ 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
▸ KDR P35968 1/20 0.62
▸ ABL2 P42684 1/20 0.62
▸ MAPK14 Q16539 1/20 0.62

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
SCHEMBL15006468 0.89 KIT (0.70) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13765894 0.88 ABL1 (0.85) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL9611002 0.86 ABL1 (0.86) ABL1KITFGFR1PDGFRAFLT3
SCHEMBL13765913 0.85 ABL1 (0.73) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13772004 0.85 BRAF (0.64) ABL1KIT
SCHEMBL16683478 0.84 ABL1 (0.68) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL16250590 0.83 KIT (0.82) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13765888 0.83 ABL1 (0.72) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL30464941 0.83 ABL1 (1.00) ABL1KITFGFR1PDGFRAFLT3
SCHEMBL588523 0.83 ABL1 (1.00) ABL1KITFGFR1PDGFRAFLT3

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 8 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-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-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 — — US disclosed
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 (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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885KIT 3086/4885FGFR1 3332/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885KIT 3086/4885FGFR1 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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