SCHEMBL13771723

SCHEMBL13771723

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-c1cccnc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 8/20 0.83
▸ KIT P10721 5/20 0.80
▸ CSF1R P07333 4/20 0.80
▸ BRAF P15056 4/20 0.78
▸ EGFR P00533 3/20 0.78
▸ ABL1 P00519 4/20 0.76
▸ LYN P07948 1/20 0.72
▸ BCR P11274 1/20 0.72
▸ KIF5B P33176 1/20 0.69
▸ CCDC6 Q16204 1/20 0.69

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
SCHEMBL13772031 0.92 BRAF (0.79) RETKITCSF1RBRAFEGFR
SCHEMBL13772003 0.91 RET (0.70) RETKITCSF1RBRAFEGFR
SCHEMBL13772005 0.89 BRAF (0.69) RETKITCSF1RBRAFEGFR
SCHEMBL4906580 0.88 CSF1R (0.72) RETKITCSF1RBRAFEGFR
SCHEMBL28806373 0.88 BRAF (0.75) RETKITCSF1RBRAFEGFR
SCHEMBL13772100 0.87 RET (0.66) RETKITCSF1RBRAFEGFR
SCHEMBL12397825 0.87 ABL1 (0.81) KITCSF1RABL1BCR
SCHEMBL30616136 0.87 BRAF (0.84) RETKITCSF1RBRAFEGFR
SCHEMBL13772103 0.87 RET (0.65) RETKITCSF1RBRAFEGFR
SCHEMBL31620832 0.86 BRAF (0.69) RETKITCSF1RBRAFEGFR

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 2 patents. 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
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 RET 4873/4885KIT 3086/4885CSF1R 3269/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA RET 4873/4885KIT 3086/4885CSF1R 3269/4885

“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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