SCHEMBL231787

SCHEMBL231787

O=C(Nc1nc(-c2nncn2C2CC2)cs1)c1cc(Br)ccn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 18/20 0.46
AKT1 P31749 7/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL232850 0.84 MAPT (0.49) MAP3K5CCR6SMN1; SMN2
SCHEMBL235196 0.82 MAP3K5 (0.48) MAP3K5AKT1
SCHEMBL232177 0.81 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL235181 0.81 MAP3K5 (0.42) MAP3K5AKT1CCR6SMN1; SMN2
SCHEMBL945572 0.78 MAP3K5 (0.68) MAP3K5SMN1; SMN2
SCHEMBL10220980 0.74 MAP3K5 (0.40) MAP3K5AKT1SMN1; SMN2
SCHEMBL946395 0.72 MAP3K5 (0.54) MAP3K5
SCHEMBL235423 0.70 MAP3K5 (0.48) MAP3K5AKT1
SCHEMBL233804 0.69 MAP3K5 (0.59) MAP3K5AKT1
SCHEMBL233574 0.69 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 7 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
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 11/4885AKT1 212/4885CCR6 801/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAP3K5 11/4885AKT1 212/4885CCR6 801/4885

“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.