SCHEMBL16818040

SCHEMBL16818040

O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3CC3C2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 1.00
AKT1 P31749 12/20 1.00

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
SCHEMBL19928346 0.91 MAP3K5 (0.92) MAP3K5AKT1
SCHEMBL16818006 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15811987 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15811892 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL16818030 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15812002 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15812046 0.90 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL19927934 0.90 MAP3K5 (0.82) MAP3K5AKT1
SCHEMBL16818077 0.90 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL16818085 0.90 MAP3K5 (1.00) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP claimed
US-20160318922-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-11-03 US claimed
EP-3083615-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2016-10-26 EP claimed
US-9169243-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-27 US claimed
WO-2015095059-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-06-25 WO claimed
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-06-25 US claimed
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP disclosed
EP-3083615-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-04-17 EP disclosed
US-9908875-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-03-06 US disclosed
US-9908875-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-03-06 US disclosed
US-9908875-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-03-06 US disclosed
US-20160318922-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-11-03 US disclosed
EP-3083615-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2016-10-26 EP disclosed
US-9169243-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-27 US disclosed
US-9169243-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-27 US disclosed
US-9169243-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-27 US disclosed
WO-2015095059-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-06-25 WO disclosed
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-06-25 US disclosed
US-20150175597-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-06-25 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 (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-20160318922-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS DAPK1, BAD, FASTKD1 MAP3K5 21/4885AKT1 442/4885
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.