SCHEMBL22848207

SCHEMBL22848207

COc1ccc(CSc2ccnc(C(C)C)c2-n2c(=O)nc(O)c3cc(F)c(Cl)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.38
DAO P14920 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH1A3 P47895 1/20 0.34

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
SCHEMBL28678937 0.83 KDM4E (0.39) KRAS
SCHEMBL22848293 0.83 KRAS (0.38) KRAS
SCHEMBL22720513 0.83 KRAS (0.39) KRAS
SCHEMBL29486382 0.83 KRAS (0.39) KRAS
SCHEMBL28682007 0.82 KRAS (0.39) KRAS
SCHEMBL22848023 0.81 KRAS (0.36) KRAS
SCHEMBL31053002 0.81 KRAS (0.36) KRAS
SCHEMBL31053010 0.78 KRAS (0.35) KRAS
SCHEMBL30957847 0.78 KRAS (0.49) KRAS
SCHEMBL22724637 0.78 KRAS (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 US disclosed
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885DAO 4460/4885ALDH1A2 2896/4885

“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.