SCHEMBL3322071

SCHEMBL3322071

CC(=O)N1CCN(Cc2ccc(COc3nccc(C(C#N)c4nc5ccccc5s4)n3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.76
MAPK9 P45984 10/20 0.76
MAPK8 P45983 2/20 0.76
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDR P35968 2/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 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
SCHEMBL3740598 0.90 MAPK10 (0.85) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL15920592 0.90 MAPK9 (0.61) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL3748955 0.90 MAPK10 (0.81) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL3746727 0.88 MAPK10 (0.79) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL4200034 0.88 MAPK10 (0.84) MAPK10MAPK9MAPK8LTA4HKCNH2
Bentamapimod SCHEMBL2878382 0.86 MAPK10 (1.00) MAPK10MAPK9MAPK8MEN1KMT2A
Bentamapimod SCHEMBL29350260 0.86 MAPK10 (1.00) MAPK10MAPK9MAPK8MEN1KMT2A
Bentamapimod SCHEMBL29423429 0.86 MAPK10 (1.00) MAPK10MAPK9MAPK8MEN1KMT2A
Bentamapimod SCHEMBL30197744 0.86 MAPK10 (1.00) MAPK10MAPK9MAPK8MEN1KMT2A
SCHEMBL4198021 0.86 MAPK10 (0.81) MAPK10MAPK9MAPK8MEN1KMT2A

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 13 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
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles MERCK SERONO SA (CH) 2010-05-13 US 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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 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
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles MERCK SERONO SA (CH) 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
EP-2137173-A2 PROCESS FOR THE PREPARATION OF PIPERAZINE BENZOTHIAZOLES Laboratoires Serono SA (CH) 2009-12-30 EP disclosed
WO-2008125518-A2 PROCESS FOR THE PREPARATION OF PIPERAZINE BENZOTHIAZOLES MERCK SERONO S.A. (CH) 2008-10-23 WO disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 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 (6 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 338/4885MAPK9 185/4885MAPK8 275/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAPK10 202/4885MAPK9 232/4885MAPK8 284/4885
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
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles NUDT1, BRD1, BRD4 MAPK10 3620/4885MAPK9 3286/4885MAPK8 3617/4885

“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.