SCHEMBL7256906

SCHEMBL7256906

CCc1ccccc1-c1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.55
▸ AKT1 P31749 1/20 0.50
▸ AKT2 P31751 1/20 0.50
▸ ROCK2 O75116 16/20 0.49
▸ ROCK1 Q13464 7/20 0.49
▸ BCL2L1 Q07817 1/20 0.44

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
SCHEMBL19589423 0.85 ROCK2 (0.44) TRPA1AKT1AKT2ROCK2ROCK1
SCHEMBL6520649 0.82 AKT2 (0.50) AKT1AKT2ROCK2ROCK1BCL2L1
SCHEMBL30332929 0.82 DPP4 (0.55) TRPA1AKT1AKT2ROCK2ROCK1
SCHEMBL8689398 0.76 SIGMAR1 (0.46) AKT1AKT2ROCK2ROCK1BCL2L1
SCHEMBL105445 0.76 AKT1 (0.55) TRPA1AKT1AKT2ROCK2ROCK1
SCHEMBL28552255 0.75 AKT2 (0.72) AKT1AKT2ROCK2
SCHEMBL30823568 0.75 AKT2 (0.59) AKT1AKT2ROCK2ROCK1
SCHEMBL30823569 0.75 AKT2 (0.59) AKT1AKT2ROCK2ROCK1
SCHEMBL18685194 0.73 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL17030742 0.73 TRPA1 (0.56) TRPA1AKT1AKT2ROCK2ROCK1

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 — — WO 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TRPA1 4074/4885AKT1 29/4885AKT2 131/4885

“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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