SCHEMBL21733474

SCHEMBL21733474

COc1ccc(CN(C)c2cc(C)c(C(F)(F)F)c(C3Cc4nc(S(C)(=O)=O)nc(N5CCN(C(=O)OC(C)(C)C)C[C@@H]5C)c4CC3C)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.43
GPR119 Q8TDV5 12/20 0.40
HDAC6 Q9UBN7 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL30177863 1.00 KRAS (0.43) KRASGPR119HDAC6MMP1MMP3
SCHEMBL21733788 0.95 KRAS (0.44) KRASGPR119MMP1MMP3MMP7
SCHEMBL21733472 0.91 KRAS (0.43) KRASGPR119HDAC6
SCHEMBL30178032 0.91 KRAS (0.43) KRASGPR119HDAC6
SCHEMBL21733633 0.88 KRAS (0.39) KRASGPR119MMP1MMP3MMP7
SCHEMBL30178122 0.88 KRAS (0.39) KRASGPR119MMP1MMP3MMP7
SCHEMBL21733830 0.87 GPR119 (0.38) KRASGPR119MAPT
SCHEMBL30178067 0.85 GPR119 (0.41) KRASGPR119MMP1MMP3MMP7
SCHEMBL21733847 0.85 GPR119 (0.41) KRASGPR119MMP1MMP3MMP7
SCHEMBL21733663 0.85 KRAS (0.45) KRASGPR119HDAC6MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885GPR119 1771/4885HDAC6 265/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885GPR119 1771/4885HDAC6 265/4885

“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.