SCHEMBL17324148

SCHEMBL17324148

COC(=O)c1cc2cc(CCc3cccc(CNC(=O)c4ccc(CN5CCN(C)CC5)c(CF)c4)c3)cnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 6/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ ROCK1 Q13464 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ABL1 P00519 8/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MAP3K20 Q9NYL2 1/20 0.38
▸ SRC P12931 6/20 0.37
▸ EGFR P00533 1/20 0.37
▸ BRAF P15056 1/20 0.37

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
SCHEMBL15859958 0.90 MAP3K20 (0.48) ABL1MAPK14MAP3K20SRCEGFR
SCHEMBL17324209 0.83 EGFR (0.46) ABL1SRCEGFRBRAF
SCHEMBL17426706 0.81 CHRM3 (0.46) CHRM3ROCK1ROCK2ABL1EGFR
SCHEMBL15860121 0.80 MAP3K20 (0.59) ABL1MAPK14MAP3K20EGFRBRAF
SCHEMBL15847641 0.79 EGFR (0.54) ABL1MAPK14MAP3K20SRCEGFR
SCHEMBL15859948 0.76 EGFR (0.56) ABL1MAPK14MAP3K20EGFRBRAF
SCHEMBL15860029 0.75 KIT (0.51) ABL1MAPK14MAP3K20SRCEGFR
SCHEMBL17324215 0.75 ABL1 (0.46) ABL1SRCEGFRBRAF
SCHEMBL15860000 0.74 BRAF (0.58) ABL1MAPK14MAP3K20EGFRBRAF
SCHEMBL15859875 0.74 ABL1 (0.56) ABL1MAPK14MAP3K20SRCEGFR

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 — — US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 — — 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 CHRM3 3660/4885HTR2C 2457/4885MCHR1 3932/4885

“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.

Send feedback