SCHEMBL4097590

SCHEMBL4097590

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(CC(N)=O)cn1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.74
▸ KIT P10721 8/20 0.73
▸ FGFR1 P11362 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ PDGFRA P16234 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ FLT3 P36888 1/20 0.67
▸ LRRK2 Q5S007 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67

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
SCHEMBL13765907 0.91 ABL1 (0.61) ABL1KIT
SCHEMBL13771967 0.90 KIT (0.60) ABL1KIT
SCHEMBL24626017 0.90 KIT (0.82) ABL1KITFGFR1FLT3
SCHEMBL29675112 0.90 KIT (0.82) ABL1KITFGFR1FLT3
SCHEMBL22548956 0.87 ABL1 (0.82) ABL1KIT
SCHEMBL14020484 0.86 ABL1 (0.60) ABL1KIT
SCHEMBL19322509 0.86 KIT (0.79) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13771738 0.85 BRAF (0.64) ABL1KIT
SCHEMBL22549122 0.85 ABL1 (0.71) ABL1KIT
SCHEMBL29675009 0.85 KIT (0.78) ABL1KITFGFR1CYP2C9PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103435595-A Acetylenic heteroaryl compounds ARIAD PHARMA INC 2013-12-11 — — CN claimed
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-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-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 — — 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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