SCHEMBL13772006

SCHEMBL13772006

Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-c1cncc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.58
DDR2 Q16832 6/20 0.57
DDR1 Q08345 2/20 0.57
KIT P10721 1/20 0.57

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
SCHEMBL13765911 0.88 DDR1 (0.68) BRAFDDR2DDR1KIT
SCHEMBL13219899 0.81 DDR2 (0.63) BRAFDDR2DDR1KIT
SCHEMBL1077175 0.80 BRAF (0.52) BRAFDDR2DDR1KIT
SCHEMBL13659892 0.80 BRAF (0.62) BRAFDDR2DDR1KIT
SCHEMBL13219960 0.79 DDR2 (0.72) DDR2DDR1KIT
SCHEMBL9611068 0.79 DDR2 (0.67) BRAFDDR2DDR1KIT
SCHEMBL2304393 0.78 TRPA1 (0.60) BRAFDDR2DDR1KIT
SCHEMBL13219897 0.77 DDR2 (0.68) DDR2DDR1KIT
SCHEMBL13772098 0.77 ABL1 (0.60) BRAFDDR2DDR1KIT
SCHEMBL1075954 0.77 BRAF (0.55) BRAFDDR2DDR1KIT

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 3990/4885DDR2 4117/4885DDR1 4768/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA BRAF 3990/4885DDR2 4117/4885DDR1 4768/4885

“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.