SCHEMBL2301741

SCHEMBL2301741

Cn1ccc2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.77

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
SCHEMBL14152073 1.00 MAP3K5 (0.77) MAP3K5
SCHEMBL2301751 1.00 MAP3K5 (0.77) MAP3K5
SCHEMBL2298977 0.89 MAP3K5 (0.69) MAP3K5
SCHEMBL2298812 0.87 MAP3K5 (1.00) MAP3K5
SCHEMBL2298807 0.87 MAP3K5 (1.00) MAP3K5
SCHEMBL14152671 0.87 MAP3K5 (1.00) MAP3K5
SCHEMBL2298473 0.85 MAP3K5 (1.00) MAP3K5
SCHEMBL2298474 0.85 MAP3K5 (1.00) MAP3K5
SCHEMBL14151413 0.81 MAP3K5 (0.51) MAP3K5
SCHEMBL14152322 0.81 MAP3K5 (0.51) MAP3K5

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-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
EP-2531501-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885

“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.