SCHEMBL13772005

SCHEMBL13772005

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-c1cncc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 7/20 0.69
▸ EGFR P00533 5/20 0.69
▸ RET P07949 1/20 0.68
▸ KIT P10721 9/20 0.68
▸ CSF1R P07333 4/20 0.66
▸ ABL1 P00519 3/20 0.65
▸ BCR P11274 1/20 0.64

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 0.91 BRAF (0.79) BRAFEGFRRETKITCSF1R
SCHEMBL13771723 0.89 RET (0.83) BRAFEGFRRETKITCSF1R
SCHEMBL13772103 0.89 RET (0.65) BRAFEGFRRETKITCSF1R
SCHEMBL13772100 0.88 RET (0.66) BRAFEGFRRETKITCSF1R
SCHEMBL4098569 0.85 ABL1 (0.83) KITCSF1RABL1
SCHEMBL4905442 0.85 KIT (0.67) BRAFEGFRRETKITCSF1R
SCHEMBL13813509 0.85 ABL1 (0.73) BRAFEGFRRETKITCSF1R
SCHEMBL4254627 0.84 KIT (0.79) BRAFEGFRKITABL1
SCHEMBL4906580 0.84 CSF1R (0.72) BRAFEGFRRETKITCSF1R
SCHEMBL31620832 0.84 BRAF (0.69) BRAFEGFRRETKITCSF1R

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 BRAF 3990/4885EGFR 2495/4885RET 4873/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA BRAF 3990/4885EGFR 2495/4885RET 4873/4885

“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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