SCHEMBL9952674

SCHEMBL9952674

CC(C)(C)OC(=O)N1CCCC(n2cc(NC(=O)c3ccc(-n4cc(-c5n[nH]c6ccccc56)nn4)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
GRM5 P41594 2/20 0.40
GRM1 Q13255 2/20 0.40
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
P2RY14 Q15391 1/20 0.39
MAPT P10636 2/20 0.38
FGFR1 P11362 2/20 0.38
DDR2 Q16832 2/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ROCK1 Q13464 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL9952339 0.97 DDB1 (0.44) DDB1CRBNGPR119GRM5GRM1
SCHEMBL27926193 0.89 GSK3B (0.39) GSK3BDYRK1ACLK2CLK3FGFR1
SCHEMBL28806325 0.87 GSK3B (0.41) GSK3BDYRK1ACLK2CLK3FGFR1
SCHEMBL9952422 0.86 GSK3B (0.51) GSK3BDYRK1ACLK2CLK3FGFR1
SCHEMBL10195391 0.85 GSK3B (0.46) GSK3BDYRK1ACLK2CLK3FGFR1
SCHEMBL10195389 0.84 GSK3B (0.49) GSK3BDYRK1ACLK2CLK3FGFR1
Tert-Butyl Formate SCHEMBL27926195 0.84 GSK3B (0.43) GSK3BDYRK1ACLK2CLK3FGFR1
Hydrochloric Acid SCHEMBL15312343 0.84 GSK3B (0.46) GSK3BDYRK1ACLK2CLK3FGFR1
Hydrochloric Acid SCHEMBL15312398 0.84 GSK3B (0.48) GSK3BDYRK1ACLK2CLK3FGFR1
Tert-Butyl Formate SCHEMBL28806326 0.84 GSK3B (0.45) GSK3BDYRK1ACLK2CLK3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 DDB1 1527/4885CRBN 1716/4885GPR119 305/4885

“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.