SCHEMBL21734049

SCHEMBL21734049

Cc1cc(N)c(F)c(C2CCc3c(ncnc3N3CCNCC3)C2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 6/20 0.34
KRAS P01116 2/20 0.34
HTR2C P28335 1/20 0.32
AKT1 P31749 4/20 0.32
DRD2 P14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL30834508 1.00 RPS6KB1 (0.34) RPS6KB1KRASHTR2CAKT1DRD2
SCHEMBL30177923 0.84 KRAS (0.46) KRAS
SCHEMBL21733799 0.84 KRAS (0.39) RPS6KB1KRASAKT1
SCHEMBL30178136 0.84 KRAS (0.46) KRAS
SCHEMBL30177770 0.84 KRAS (0.46) KRAS
SCHEMBL21733415 0.84 KRAS (0.46) KRAS
SCHEMBL21733413 0.84 KRAS (0.46) KRAS
SCHEMBL21733417 0.84 KRAS (0.46) KRAS
SCHEMBL21722224 0.83 KRAS (0.35) RPS6KB1KRASHTR2CAKT1DRD2
SCHEMBL21733766 0.76 KRAS (0.44) 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 3 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-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 RPS6KB1 27/4885KRAS 1/4885HTR2C 4653/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS RPS6KB1 27/4885KRAS 1/4885HTR2C 4653/4885

“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.