SCHEMBL10195391

SCHEMBL10195391

O=C(Nc1cnn(C2CCCNCC2)c1)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.46
DYRK1A Q13627 8/20 0.46
ROCK1 Q13464 6/20 0.46
ROCK2 O75116 2/20 0.46
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK7 Q13164 1/20 0.40
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
FGFR1 P11362 1/20 0.38
DDR2 Q16832 1/20 0.38

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
Hydrochloric Acid SCHEMBL15312343 0.99 GSK3B (0.46) GSK3BDYRK1AROCK1ROCK2MAPK8
SCHEMBL10195389 0.97 GSK3B (0.49) GSK3BDYRK1AROCK1ROCK2MAPK8
Hydrochloric Acid SCHEMBL15312398 0.96 GSK3B (0.48) GSK3BDYRK1AROCK1ROCK2MAPK8
Tert-Butyl Formate SCHEMBL27926195 0.93 GSK3B (0.43) GSK3BDYRK1AROCK1ROCK2MAPK8
SCHEMBL10194708 0.92 ROCK1 (0.55) GSK3BDYRK1AROCK1ROCK2MAPK8
Tert-Butyl Formate SCHEMBL28806326 0.90 GSK3B (0.45) GSK3BDYRK1AROCK1ROCK2MAPK8
SCHEMBL9952422 0.88 GSK3B (0.51) GSK3BDYRK1AROCK1ROCK2MAPK7
SCHEMBL17850400 0.86 ROCK1 (0.39) GSK3BDYRK1AROCK1ROCK2CLK2
SCHEMBL15312572 0.85 GSK3B (0.40) GSK3BDYRK1AROCK1ROCK2CLK2
SCHEMBL10194961 0.85 GSK3B (0.46) GSK3BDYRK1AROCK1ROCK2MAPK7

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 6 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
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-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 GSK3B 829/4885DYRK1A 3535/4885ROCK1 1557/4885

“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.