SCHEMBL21733500

SCHEMBL21733500

Cc1ccc2c(cnn2PI)c1C1Cc2nc[nH]c(=O)c2CC1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.36
ALDH1A1 P00352 1/20 0.31
GRM7 Q14831 1/20 0.31
HTT P42858 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
SCHEMBL24854593 0.83 GRM7 (0.43) KRASALDH1A1GRM7HTT
SCHEMBL21722146 0.79 KRAS (0.35) KRASALDH1A1GRM7
SCHEMBL21734017 0.78 KRAS (0.49) KRASALDH1A1HTT
SCHEMBL21733793 0.76 GRM7 (0.34) GRM7
SCHEMBL21733828 0.74 KRAS (0.30) KRAS
SCHEMBL21733775 0.73 KRAS (0.68) KRASALDH1A1HTT
SCHEMBL21734020 0.70 GRM7 (0.33) KRASGRM7
SCHEMBL21733698 0.69
SCHEMBL21733817 0.69 TP53 (0.31) ALDH1A1
SCHEMBL24854592 0.67

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 KRAS 1/4885ALDH1A1 3678/4885GRM7 2937/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885ALDH1A1 3678/4885GRM7 2937/4885

“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.