SCHEMBL1073271

SCHEMBL1073271

CN(C)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccnn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 13/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
RET P07949 2/20 0.44
CDK2 P24941 2/20 0.44
GSK3B P49841 2/20 0.44
ITK Q08881 2/20 0.44
MERTK Q12866 2/20 0.44
PRKAA1 Q13131 2/20 0.44
ROCK1 Q13464 2/20 0.44
MAP3K6 O95382 2/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL13654263 0.85 MAP3K5 (0.55) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1071732 0.84 MAP3K5 (0.41) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1524348 0.84 MAP3K5 (0.55) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1523942 0.83 MAP3K5 (0.43) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1524126 0.83 MAP3K5 (0.51) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1019319 0.83 MAP3K5 (0.40) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1018046 0.83 MAP3K5 (0.43) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1523230 0.82 RAB9A (0.42) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1021743 0.82 MAP3K5 (0.52) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1072761 0.81 TP53 (0.43) MAP3K5NPC1RAB9ATP53MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US claimed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US claimed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US claimed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US claimed
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885NPC1 2057/4885RAB9A 3465/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 11/4885NPC1 1900/4885RAB9A 3479/4885

“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.