SCHEMBL27426346

SCHEMBL27426346

CCc1ccc2[nH]ncc2c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.39
▸ DHPS P49366 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ AXL P30530 2/20 0.37
▸ NOS1 P29475 4/20 0.36
▸ ESR2 Q92731 6/20 0.36
▸ ESR1 P03372 5/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL21196087 0.79 TRPA1 (0.41) TRPA1IDO1AXLNOS1ESR2
SCHEMBL20439436 0.77 TRPA1 (0.42) TRPA1IDO1AXLNOS1ESR2
SCHEMBL17030759 0.77 IDO1 (0.41) TRPA1DHPSIDO1AXLNOS1
SCHEMBL24373847 0.76 NOS1 (0.46) TRPA1IDO1AXLNOS1ESR2
SCHEMBL22967212 0.76 NOS1 (0.46) TRPA1IDO1AXLNOS1ESR2
SCHEMBL23685818 0.76 TRPA1 (0.44) TRPA1IDO1AXLNOS1ESR2
SCHEMBL18133835 0.76 NOS1 (0.50) TRPA1DHPSIDO1AXLNOS1
SCHEMBL17030763 0.76 AXL (0.42) TRPA1DHPSIDO1AXLNOS1
SCHEMBL22967876 0.73 AXL (0.56) TRPA1IDO1AXLNOS1ESR2
SCHEMBL21938210 0.73 IDO1 (0.38) TRPA1IDO1AXLNOS1ESR2

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-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS TRPA1 4854/4885DHPS 3759/4885IDO1 4657/4885

“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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