SCHEMBL20953771

SCHEMBL20953771

COc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1NCC(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ PDCD1LG2 Q9BQ51 2/20 0.43
▸ CD274 Q9NZQ7 2/20 0.43
▸ RBP4 P02753 1/20 0.41
▸ ALK Q9UM73 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CCR4 P51679 1/20 0.39
▸ SCD O00767 2/20 0.39
▸ EGFR P00533 3/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL16122843 0.89 KRAS (0.51) GAARBP4MEN1KMT2ASCD
SCHEMBL16117783 0.83 KRAS (0.48) GAARBP4MEN1KMT2ASCD
SCHEMBL16122844 0.83 KRAS (0.46) GAAEGFR
SCHEMBL22984916 0.82 CYP11B2 (0.46) GAAALKSCD
SCHEMBL16117782 0.81 KRAS (0.46) GAASCDEGFR
SCHEMBL30104233 0.81 KRAS (0.53) GAAMEN1KMT2ASCDEGFR
SCHEMBL16102800 0.81 KRAS (0.53) GAAMEN1KMT2ASCDEGFR
SCHEMBL16122269 0.81 GAA (0.47) GAACD274ALKMEN1KMT2A
SCHEMBL16102324 0.80 GAA (0.44) GAACD274ALKMEN1KMT2A
SCHEMBL16117727 0.79 KRAS (0.50) GAAMEN1KMT2ASCDEGFR

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-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — 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-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS GAA 1747/4885PDCD1LG2 2275/4885CD274 4213/4885

“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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