SCHEMBL23124346

SCHEMBL23124346

Nc1cccc(N2C[C@@H]3C[C@H]2CO3)c1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 15/20 0.41
MTOR P42345 2/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
MAP3K13 O43283 2/20 0.37
PDE10A Q9Y233 1/20 0.37
DLK1 P80370 1/20 0.36

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
SCHEMBL23122830 0.80 MAP3K12 (0.38) MAP3K12MTORPIK3CAPRKDCMAP3K13
SCHEMBL29745241 0.80 MAP3K12 (0.38) MAP3K12MTORPIK3CAPRKDCMAP3K13
SCHEMBL23122900 0.72 DRD2 (0.43) MAP3K12PDE10A
SCHEMBL23123423 0.72 CHRNA7 (0.44)
SCHEMBL29745052 0.72 CHRNA7 (0.44)
SCHEMBL23123138 0.72 CHRNA7 (0.44)
SCHEMBL23122838 0.72 CHRNA7 (0.44)
SCHEMBL22163205 0.72 MAP3K12 (0.51) MAP3K12MTORPIK3CAMAP3K13PDE10A
SCHEMBL15399039 0.71 MAP3K12 (0.44) MAP3K12MTORPIK3CAPRKDCMAP3K13
SCHEMBL17076880 0.71 MAPT (0.42) MAP3K12MTORPIK3CAMAP3K13

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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 MAP3K12 2505/4885MTOR 918/4885PIK3CA 876/4885

“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.