SCHEMBL14642795

SCHEMBL14642795

Cc1ccc(C(=O)Nc2ccc(Cn3ccnc3)c(C(F)(F)F)c2)cc1-c1cnccn1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.63
▸ ABL2 P42684 2/20 0.63
▸ BRAF P15056 5/20 0.56
▸ EGFR P00533 4/20 0.56
▸ RET P07949 1/20 0.52
▸ KIT P10721 4/20 0.49
▸ CSF1R P07333 2/20 0.49
▸ DDR1 Q08345 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL9610986 0.85 DDR1 (0.64) ABL1ABL2KITDDR1
SCHEMBL13772004 0.85 BRAF (0.64) ABL1BRAFEGFRRETKIT
SCHEMBL13765913 0.84 ABL1 (0.73) ABL1ABL2KIT
SCHEMBL9611004 0.83 ABL1 (0.61) ABL1ABL2KITDDR1
SCHEMBL15061749 0.78 ABL1 (0.80) ABL1ABL2BRAFEGFRRET
SCHEMBL19317720 0.77 ABL1 (1.00) ABL1ABL2KIT
SCHEMBL19317723 0.76 ABL1 (0.81) ABL1ABL2BRAFEGFRKIT
SCHEMBL15061742 0.76 ABL1 (0.76) ABL1ABL2BRAFEGFRRET
SCHEMBL10265418 0.75 ABL1 (0.66) ABL1ABL2BRAFEGFRRET
SCHEMBL9611036 0.74 ABL1 (0.75) ABL1ABL2BRAFEGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 — — 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-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ABL1 1035/4885ABL2 924/4885BRAF 3990/4885

“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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