SCHEMBL31719957

SCHEMBL31719957

Cc1ccccc1-c1c[nH]c(=O)c2cc(N(C)CC(=O)N[C@H](C)C(N)=O)ccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.34
▸ IP6K1 Q92551 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PLCG1 P19174 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL31719858 1.00 ROCK1 (0.34) ROCK1IP6K1MEN1ALDH1A1KMT2A
SCHEMBL31719833 1.00 ROCK1 (0.34) ROCK1IP6K1MEN1ALDH1A1KMT2A
SCHEMBL30283623 0.85 ROCK1 (0.39) ROCK1IP6K1ALDH1A1PLCG1JAK3
SCHEMBL30283336 0.82 ROCK1 (0.39) ROCK1IP6K1ALDH1A1PLCG1
SCHEMBL30228010 0.80 IGLV6-57 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL30228409 0.80 IGLV6-57 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL31731467 0.79 PIK3CD (0.36) MEN1ALDH1A1KMT2A
SCHEMBL31731586 0.79 PIK3CD (0.36) MEN1ALDH1A1KMT2A
SCHEMBL30283445 0.79 ROCK1 (0.37) ROCK1IP6K1ALDH1A1PLCG1JAK3
SCHEMBL30283587 0.78 ALDH1A1 (0.41) ROCK1IP6K1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340516-A1 Isoquinolinones as Modulators of POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-11-06 — — 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 (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-20250340516-A1 Isoquinolinones as Modulators of POLRMT POLRMT, TFAM, UQCRC1 ROCK1 3060/4885IP6K1 1594/4885MEN1 3659/4885

“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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