SCHEMBL21733452

SCHEMBL21733452

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(C3Cc4nc[nH]c(=O)c4CC3C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.36
SRC P12931 2/20 0.32
KRAS P01116 1/20 0.31
FABP4 P15090 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CG P48736 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
SCHEMBL21734095 0.86 QPCT (0.35) QPCTSRCFABP4
SCHEMBL21733584 0.86 QPCT (0.34) QPCTSRCFABP4
SCHEMBL21733503 0.81 KRAS (0.34) KRAS
SCHEMBL21733785 0.80 KMT2A (0.32) FABP4PIK3CDPIK3R2PIK3CG
SCHEMBL24854480 0.79 KRAS (0.31) KRAS
SCHEMBL30512392 0.79 ALDH1A1 (0.33) KRAS
SCHEMBL21734028 0.79 ALDH1A1 (0.33) KRAS
SCHEMBL30708435 0.78 SMN1; SMN2 (0.33) QPCT
SCHEMBL25379217 0.77 ALDH1A1 (0.32) QPCT
SCHEMBL21733454 0.77 KRAS (0.47) 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 4 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
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 (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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS QPCT 2330/4885SRC 551/4885KRAS 1/4885

“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.