SCHEMBL16818015

SCHEMBL16818015

O=C(Nc1csc(-c2nncn2C2CC2)n1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.55
AKT1 P31749 11/20 0.54

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
SCHEMBL233508 0.83 MAP3K5 (0.54) MAP3K5AKT1
SCHEMBL233109 0.81 MAP3K5 (0.60) MAP3K5AKT1
SCHEMBL233505 0.80 MAP3K5 (0.61) MAP3K5AKT1
SCHEMBL233941 0.80 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL231900 0.80 MAP3K5 (0.71) MAP3K5AKT1
SCHEMBL16826528 0.77 MAP3K5 (0.40) MAP3K5AKT1
SCHEMBL20902577 0.76 MAP3K5 (0.68) MAP3K5AKT1
SCHEMBL952626 0.76 MAP3K5 (0.67) MAP3K5
SCHEMBL230917 0.75 MAP3K5 (0.63) MAP3K5AKT1
SCHEMBL234485 0.75 MAP3K5 (0.81) MAP3K5AKT1

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-9169243-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-27 US disclosed
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-06-25 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-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS DAPK1, BAD, FASTKD1 MAP3K5 21/4885AKT1 442/4885

“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.