SCHEMBL17426706

SCHEMBL17426706

CC(=O)c1cc2cc(NC(=O)c3cccc(CNC(=O)c4ccc(CN5CCN(C)CC5)c(CF)c4)c3)cnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.46
▸ EGFR P00533 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ ROCK2 O75116 15/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL17420190 0.90 EGFR (0.55) EGFRBRAFABL1RET
SCHEMBL15847641 0.83 EGFR (0.54) EGFRBRAFABL1RET
SCHEMBL17324148 0.81 CHRM3 (0.42) CHRM3EGFRBRAFROCK2ABL1
SCHEMBL15859839 0.81 EGFR (0.58) EGFRBRAFABL1RET
SCHEMBL17324209 0.77 EGFR (0.46) EGFRBRAFABL1
SCHEMBL15847673 0.76 EGFR (0.59) EGFRBRAFABL1RET
SCHEMBL15859869 0.75 KIT (0.53) EGFRBRAFABL1
SCHEMBL15859875 0.75 ABL1 (0.56) EGFRBRAFABL1RET
SCHEMBL15859840 0.74 BRAF (0.61) EGFRBRAFABL1
SCHEMBL15859863 0.74 BRAF (0.52) EGFRBRAFABL1

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-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 — — US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 — — 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-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 CHRM3 4452/4885EGFR 738/4885BRAF 32/4885

“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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