SCHEMBL1019683

SCHEMBL1019683

CC(C)(C)c1ccc(C(=O)Nc2cc(NC3CCCC3)n3nccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.49
CDK9 P50750 8/20 0.49
TRPV1 Q8NER1 1/20 0.46
MAP3K5 Q99683 7/20 0.44
MAPKAPK2 P49137 2/20 0.43
STK25 O00506 1/20 0.43
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CDK1 P06493 3/20 0.42
CCNA2 P20248 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK3 Q00526 3/20 0.42
CDK6 Q00534 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NPC1 O15118 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
SCHEMBL1070793 0.96 CCNT1 (0.46) CCNT1CDK9MAP3K5MAPKAPK2CDK2
SCHEMBL1073600 0.89 CDK9 (0.45) CCNT1CDK9MAP3K5MAPKAPK2CDK2
SCHEMBL1523446 0.89 MAP3K5 (0.41) CCNT1CDK9TRPV1MAP3K5CDK2
SCHEMBL1073446 0.88 MAP3K5 (0.45) CCNT1CDK9MAP3K5CDK2CCNA1
SCHEMBL1019097 0.85 MAPKAPK2 (0.55) MAP3K5MAPKAPK2CDK2NPC1TP53
SCHEMBL1021743 0.83 MAP3K5 (0.52) MAP3K5CDK2NPC1TP53MAPT
SCHEMBL23992330 0.83 CDK9 (0.57) CCNT1CDK9MAPKAPK2CDK2CCNA1
SCHEMBL1523920 0.80 MAP3K5 (0.46) MAP3K5CDK2NPC1TP53MAPT
SCHEMBL1523466 0.80 MAP3K5 (0.46) TRPV1MAP3K5CDK2NPC1TP53
SCHEMBL1073688 0.80 MAP3K5 (0.49) TRPV1MAP3K5NPC1TP53MAPT

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 CCNT1 1546/4885CDK9 556/4885TRPV1 3990/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD CCNT1 1182/4885CDK9 480/4885TRPV1 3804/4885

“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.