SCHEMBL22074786

SCHEMBL22074786

Nc1nccc(N2CC3CC2CS3)c1-c1ccncn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 4/20 0.33
▸ ROCK1 Q13464 1/20 0.31
▸ CDC42BPB Q9Y5S2 1/20 0.31
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL22074784 0.83 MAP3K12 (0.35) MAP3K12ROCK1CDC42BPB
SCHEMBL21658975 0.77 MAP3K12 (0.41) MAP3K12
SCHEMBL22074785 0.69 ROCK1 (0.49) ROCK1CDC42BPBMAPK9MAPK10MAPK11
SCHEMBL21658974 0.60 MAP3K12 (0.40) MAP3K12
SCHEMBL22074957 0.58 MAP3K12 (0.41) MAP3K12
SCHEMBL13910999 0.57 HSP90AA1 (0.50) MAPK9MAPK10MAPK11MAPK14
SCHEMBL673108 0.57 ROCK1 (0.36) ROCK1CDC42BPB
SCHEMBL10402322 0.56 HSP90AA1 (0.48) ROCK1CDC42BPBMAPK9MAPK10MAPK11
SCHEMBL2814353 0.55 HSP90AA1 (0.52) MAPK9MAPK10MAPK11MAPK14
SCHEMBL30595872 0.55 HSP90AA1 (0.52) MAPK9MAPK10MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 — — US disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 — — US 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-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885ROCK1 778/4885CDC42BPB 2151/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885ROCK1 778/4885CDC42BPB 2151/4885

“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.

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