SCHEMBL29624569

SCHEMBL29624569

CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(=O)Nc3ncccn3)c2)n1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.78
MAP3K7 O43318 1/20 0.67
MAP3K6 O95382 1/20 0.67

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
SCHEMBL23631287 0.92 MAP3K5 (0.79) MAP3K5MAP3K7MAP3K6
SCHEMBL29624545 0.92 MAP3K5 (0.79) MAP3K5MAP3K7MAP3K6
SCHEMBL20523512 0.91 MAP3K5 (0.70) MAP3K5MAP3K7MAP3K6
SCHEMBL20523643 0.89 MAP3K5 (0.69) MAP3K5MAP3K7MAP3K6
SCHEMBL29624541 0.89 MAP3K5 (0.69) MAP3K5MAP3K7MAP3K6
SCHEMBL29624631 0.89 MAP3K5 (0.80) MAP3K5MAP3K7MAP3K6
SCHEMBL29624589 0.88 MAP3K5 (0.80) MAP3K5MAP3K7MAP3K6
SCHEMBL23631229 0.88 MAP3K5 (0.80) MAP3K5MAP3K7MAP3K6
SCHEMBL23631268 0.87 MAP3K5 (0.74) MAP3K5MAP3K7MAP3K6
SCHEMBL29624562 0.87 MAP3K5 (0.74) MAP3K5MAP3K7MAP3K6

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-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US claimed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 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-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 MAP3K5 13/4885MAP3K7 16/4885MAP3K6 10/4885

“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.