SCHEMBL16699185

SCHEMBL16699185

Cn1ccc(NC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSK P43235 2/20 0.43
NOTUM Q6P988 1/20 0.43
SCN9A Q15858 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
RAF1 P04049 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL16699187 1.00 KDM4E (0.49) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL16703597 0.84 SMN1; SMN2 (0.49) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13472107 0.79 SMN1; SMN2 (0.54) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30408109 0.76 HDAC8 (0.52) LMNACTSKMAPK1CA12CA1
SCHEMBL11562606 0.75 CA12 (0.47) CTSKSCN9ACA12CA1CA2
SCHEMBL19116503 0.73 SMN1; SMN2 (0.67) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1195945 0.73 KLK5 (0.45) CTSKSCN9AACEKLK5AKT1
SCHEMBL1195947 0.73 KLK5 (0.45) CTSKSCN9AACEKLK5AKT1
SCHEMBL30475997 0.73 KLK5 (0.45) CTSKSCN9AACEKLK5AKT1
SCHEMBL30408166 0.72 CTSS (0.47) ALDH1A1SMN1; SMN2CTSKSCN9ANPC1

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
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 KDM4E 125/4885ALDH1A1 782/4885LMNA 2276/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 KDM4E 125/4885ALDH1A1 782/4885LMNA 2276/4885

“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.