SCHEMBL19589423

SCHEMBL19589423

CCc1cccc(-c2cn[nH]c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.44
▸ ROCK1 Q13464 5/20 0.44
▸ AKT1 P31749 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL7256906 0.85 TRPA1 (0.55) ROCK2ROCK1AKT1AKT2TRPA1
SCHEMBL18378727 0.80 AKT1 (0.47) ROCK2ROCK1AKT1AKT2TRPA1
SCHEMBL20294499 0.78 AKT2 (0.60) ROCK2ROCK1AKT1AKT2PDCD1
SCHEMBL21451423 0.77 IDO1 (0.53) ROCK2ROCK1AKT1AKT2
SCHEMBL29324653 0.77 AKT1 (0.44) ROCK2ROCK1AKT1AKT2
SCHEMBL26078323 0.76 ADRA1A (0.56) —
SCHEMBL19726594 0.75 AKT1 (0.43) ROCK2ROCK1AKT1AKT2TRPA1
SCHEMBL18375564 0.74 AKT1 (0.42) ROCK2ROCK1AKT1AKT2TRPA1
SCHEMBL607544 0.73 CD274 (0.71) PDCD1CD274
SCHEMBL23066174 0.72 CD274 (0.46) TRPA1PDCD1CD274

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-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 — — US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 — — 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-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ROCK2 501/4885ROCK1 784/4885AKT1 1818/4885

“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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