SCHEMBL21733530

SCHEMBL21733530

Cc1ccc2c(cnn2C2CCCCO2)c1C1Cc2nc(S(C)(=O)=O)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2CC1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.39
GPR119 Q8TDV5 7/20 0.39
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
PIK3CG P48736 3/20 0.36
ATR Q13535 2/20 0.36
AURKB Q96GD4 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KIT P10721 1/20 0.35
CYP3A4 P08684 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 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
SCHEMBL25253665 0.90 GPR119 (0.39) KRASGPR119PIK3CAMTORPIK3CG
SCHEMBL21722212 0.89 KRAS (0.40) KRASPIK3CAMTORPIK3CGATR
SCHEMBL21243944 0.86 KRAS (0.48) KRASPIK3CAMTORPIK3CGATR
SCHEMBL21722422 0.84 KRAS (0.60) KRAS
SCHEMBL29253559 0.80 GPR119 (0.38) KRASGPR119PIK3CAMTORPIK3CG
SCHEMBL28674967 0.80 GPR119 (0.38) KRASGPR119PIK3CAMTORPIK3CG
SCHEMBL21243930 0.80 MAPT (0.39) KRASPIK3CAMTORPIK3CGATR
SCHEMBL28663060 0.79 GPR119 (0.38) KRASGPR119PIK3CAMTORPIK3CG
SCHEMBL21243903 0.79 KRAS (0.56) KRASPIK3CAMTORPIK3CGATR
SCHEMBL25248755 0.79 MAPT (0.36) KRASPIK3CAMTORPIK3CGATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
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
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN 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 1771/4885PIK3CA 384/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885GPR119 1771/4885PIK3CA 384/4885

“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.