SCHEMBL21393292

SCHEMBL21393292

CC(C)[C@H](C)c1cccc(CC(C)[C@H](C)c2ccc(C#N)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ CYP19A1 P11511 8/20 0.33
▸ SCN9A Q15858 3/20 0.33

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
SCHEMBL21393205 0.83 AURKA (0.32) HSD11B1
SCHEMBL18022517 0.72 CYP2A6 (0.48) CYP19A1
SCHEMBL13328613 0.72 CYP2A6 (0.48) CYP19A1
SCHEMBL12251108 0.72 CYP2A6 (0.48) CYP19A1
SCHEMBL21122380 0.69 TRPV3 (0.32) —
SCHEMBL23006785 0.69 IRAK4 (0.38) —
SCHEMBL10229765 0.69 CYP2A6 (0.47) CYP19A1
SCHEMBL13557870 0.68 CYP2A6 (0.52) CYP19A1
SCHEMBL19085083 0.66 CCR1 (0.39) —
SCHEMBL30509594 0.65 TSHR (0.54) CYP19A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 — — 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-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 HSD11B1 2679/4885ALOX5AP 3561/4885CYP19A1 3483/4885

“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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