SCHEMBL232718

SCHEMBL232718

COc1cc(OC)c(C(=O)Nc2csc(-c3nncn3C3CC3)c2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 15/20 0.36
STAT1 P42224 1/20 0.36
MYLK Q15746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT1 P31749 2/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL231717 0.79 MAP3K5 (0.40) MAP3K5AKT1
SCHEMBL235423 0.72 MAP3K5 (0.48) MAP3K5AKT1
SCHEMBL233804 0.70 MAP3K5 (0.59) MAP3K5AKT1
SCHEMBL232610 0.69 MAP3K5 (0.42) MAP3K5AKT1
SCHEMBL234242 0.68 MAP3K5 (0.52) MAP3K5AKT1
SCHEMBL234917 0.68 MAP3K5 (0.50) MAP3K5MYLKTNF
SCHEMBL235263 0.68 MAP3K5 (0.52) MAP3K5AKT1
SCHEMBL233301 0.67 MAP3K5 (0.56) MAP3K5AKT1
SCHEMBL231492 0.67 MAP3K5 (0.59) MAP3K5AKT1
SCHEMBL232728 0.67 MAP3K5 (0.53) 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 9 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
CN-102985418-A Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC 2013-03-20 CN disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (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 11/4885STAT1 416/4885MYLK 683/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAP3K5 11/4885STAT1 416/4885MYLK 683/4885

“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.