SCHEMBL30039346

SCHEMBL30039346

CC1(C)OB(c2cc3nc4n(c3cc2C(F)(F)F)CCC4)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD11B1 P28845 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23302127 0.83 SMN1; SMN2 (0.37) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL24978831 0.75 MEN1 (0.52) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL23302264 0.75 KDM4E (0.39) SMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL29335773 0.75 SMN1; SMN2 (0.40) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL23302128 0.72 GRM2 (0.35) —
SCHEMBL23302158 0.71 CHRNB2 (0.35) —
SCHEMBL22606823 0.71 LPL (0.36) —
SCHEMBL21871418 0.69 TRPA1 (0.45) TP53
SCHEMBL16439291 0.67 PRKCI (0.33) HSD11B1
SCHEMBL28080069 0.66 MEN1 (0.47) MEN1KMT2ATP53SMN1; SMN2KDM4E

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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-07-25 — — US disclosed
EP-4329750-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
WO-2022232320-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 — — 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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS MEN1 498/4885KMT2A 1172/4885TP53 4/4885

“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.

Send feedback