SCHEMBL22220540

SCHEMBL22220540

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2c(F)c(-c3cccc4ccc(F)c(Cl)c34)ncc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.43
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR119 Q8TDV5 7/20 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
SCHEMBL22220629 1.00 KRAS (0.43) KRASSMARCA2SMARCA4PBRM1CNR1
SCHEMBL22220528 0.91 KRAS (0.44) KRASCNR1CNR2
SCHEMBL22586834 0.90 KRAS (0.42) KRASGPR119
SCHEMBL22555238 0.89 KRAS (0.45) KRAS
SCHEMBL22555239 0.89 KRAS (0.45) KRAS
SCHEMBL22220391 0.89 CNR1 (0.48) KRASCNR1CNR2
SCHEMBL22554959 0.88 KRAS (0.43) KRASCNR1CNR2
SCHEMBL22220252 0.87 KRAS (0.51) KRAS
SCHEMBL22587096 0.87 KRAS (0.51) KRAS
SCHEMBL22220393 0.87 KRAS (0.46) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 — — US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 — — US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 — — 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885SMARCA2 1922/4885SMARCA4 1845/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885SMARCA2 1922/4885SMARCA4 1845/4885

“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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