SCHEMBL3748955

SCHEMBL3748955

CN1CCN(Cc2ccc(COc3nccc(C(C#N)c4nc5ccccc5s4)n3)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.81
MAPK9 P45984 10/20 0.81
MAPK8 P45983 2/20 0.81
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LTA4H P09960 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKBKE Q14164 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
SCHEMBL3740598 0.94 MAPK10 (0.85) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL3753376 0.93 MAPK10 (0.70) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL4200034 0.91 MAPK10 (0.84) MAPK10MAPK9MAPK8RAB9ATP53
SCHEMBL3746727 0.90 MAPK10 (0.79) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL15920643 0.90 MAPK9 (0.66) MAPK10MAPK9MAPK8RAB9ANPC1
Bentamapimod SCHEMBL2878382 0.90 MAPK10 (1.00) MAPK10MAPK9MAPK8RAB9ANPC1
Bentamapimod SCHEMBL29350260 0.90 MAPK10 (1.00) MAPK10MAPK9MAPK8RAB9ANPC1
Bentamapimod SCHEMBL29423429 0.90 MAPK10 (1.00) MAPK10MAPK9MAPK8RAB9ANPC1
Bentamapimod SCHEMBL30197744 0.90 MAPK10 (1.00) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL4198021 0.90 MAPK10 (0.81) MAPK10MAPK9MAPK8RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592414-B2 JNK inhibitors for the treatment of endometriosis Merck Serono, S.A. (CH) 2013-11-26 US claimed
EP-1501828-B1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS SERONO LAB (CH) 2008-01-09 EP claimed
US-7314878-B2 Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or CNS disorders LABORATORIES SERONO SA (CH) 2008-01-01 US claimed
EP-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 EP claimed
US-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-04-19 US claimed
US-20050261304-A1 Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or cns disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-11-24 US claimed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO claimed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
EP-1501828-B1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS SERONO LAB (CH) 2008-01-09 EP disclosed
US-7314878-B2 Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or CNS disorders LABORATORIES SERONO SA (CH) 2008-01-01 US disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO disclosed
US-20050261304-A1 Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or cns disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-11-24 US disclosed
EP-1501828-A1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2005-02-02 EP disclosed
WO-2003091249-A1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-11-06 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 (3 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 MAPK10 3176/4885MAPK9 3960/4885MAPK8 4361/4885
US-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes GPR119, GLS2, GLS MAPK10 3255/4885MAPK9 4264/4885MAPK8 3132/4885
US-20050261304-A1 Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or cns disorders PRDX5, PIR, GRIK5 MAPK10 3536/4885MAPK9 4329/4885MAPK8 3901/4885

“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.