SCHEMBL21733401

SCHEMBL21733401

CNC/C=C/C(=O)N1CCN(c2ncnc3c2CC(C)C(c2c(C)ccc4[nH]ncc24)C3)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.78
PAK1 Q13153 2/20 0.35
RPS6KB1 P23443 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDGFRB P09619 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
SCHEMBL21733404 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL30178006 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL21734025 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL30177726 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL30178135 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL24854607 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL21733402 1.00 KRAS (0.78) KRASPAK1RPS6KB1TRPV1PDGFRB
SCHEMBL21243886 0.88 KRAS (1.00) KRAS
SCHEMBL21733791 0.88 KRAS (1.00) KRAS
SCHEMBL21733645 0.88 KRAS (1.00) 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
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 1/4885PAK1 229/4885RPS6KB1 27/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885PAK1 229/4885RPS6KB1 27/4885

“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.