SCHEMBL233574

SCHEMBL233574

O=C(Nc1csc(-c2nncn2C2CC2)c1)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 13/20 0.53
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
USP30 Q70CQ3 2/20 0.40
CBLB Q13191 1/20 0.40
SMO Q99835 2/20 0.38
AKT1 P31749 4/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL234917 0.91 MAP3K5 (0.50) MAP3K5CBLB
SCHEMBL235423 0.87 MAP3K5 (0.48) MAP3K5CBLBAKT1
SCHEMBL235196 0.87 MAP3K5 (0.48) MAP3K5CBLBAKT1
SCHEMBL232728 0.86 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL943988 0.85 MAP3K5 (0.69) MAP3K5CCNCCDK8USP30CBLB
SCHEMBL16712435 0.83 MAP3K5 (0.45) MAP3K5USP30CBLBAKT1
SCHEMBL230573 0.82 MAP3K5 (0.62) MAP3K5AKT1
SCHEMBL232935 0.81 MAP3K5 (0.60) MAP3K5AKT1
SCHEMBL233804 0.81 MAP3K5 (0.59) MAP3K5AKT1
SCHEMBL232980 0.80 MAP3K5 (0.74) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAP3K5 11/4885CCNC 1585/4885CDK8 1004/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAP3K5 11/4885CCNC 1585/4885CDK8 1004/4885

“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.