SCHEMBL13765892

SCHEMBL13765892

CNCc1cncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.80
▸ FGFR1 P11362 9/20 0.79
▸ KDR P35968 8/20 0.79
▸ KIT P10721 4/20 0.77
▸ CYP2C9 P11712 1/20 0.72
▸ PDGFRA P16234 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ FLT3 P36888 1/20 0.72
▸ LRRK2 Q5S007 1/20 0.72
▸ HDAC6 Q9UBN7 1/20 0.72
▸ CSF1R P07333 1/20 0.70

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 0.91 ABL1 (0.79) ABL1FGFR1KDRKITCYP2C9
SCHEMBL21730540 0.91 FGFR1 (0.85) ABL1FGFR1KDRKITCYP2C9
SCHEMBL4098569 0.89 ABL1 (0.83) ABL1FGFR1KDRKITCYP2C9
SCHEMBL4112245 0.89 ABL1 (1.00) ABL1FGFR1KDRKITCYP2C9
SCHEMBL13765778 0.87 KIT (1.00) ABL1FGFR1KDRKITCSF1R
SCHEMBL19317717 0.86 ABL1 (0.84) ABL1FGFR1KDRKITCYP2C9
SCHEMBL13772100 0.86 RET (0.66) ABL1FGFR1KDRKITCSF1R
SCHEMBL22549164 0.85 KIT (0.84) ABL1FGFR1KITCYP2C9PDGFRA
SCHEMBL24626458 0.85 KIT (0.84) ABL1FGFR1KDRKITCYP2C9
SCHEMBL24626308 0.85 KIT (1.00) ABL1FGFR1KDRKITCYP2C9

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 1035/4885FGFR1 3332/4885KDR 4789/4885

“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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