SCHEMBL8355430

SCHEMBL8355430

N#C/C(=C1/Nc2ccccc2S1)c1ccnc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.49
MAPK10 P53779 2/20 0.49
SGK1 O00141 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
RAF1 P04049 1/20 0.49
SRC P12931 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK8 P45983 1/20 0.49
BLK P51451 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MAP2K6 P52564 1/20 0.49
CCNA1 P78396 1/20 0.49
MAPK14 Q16539 1/20 0.49
GAA P10253 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13081199 0.85 SGK1 (0.49) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL8292047 0.82 MEN1 (0.36) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL77651 0.78 GAA (0.45) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL77650 0.78 GAA (0.45) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL5107376 0.74 MEN1 (0.32) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL1536191 0.74 MEN1 (0.32) MAPK9MAPK10SGK1ROCK2RPS6KA5
SCHEMBL5477033 0.73 KDM4E (0.36) GAAMAPTKDM4EMAPK1CASP1
SCHEMBL13999059 0.73 ALDH1A1 (0.41) SRCSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5477035 0.73 KDM4E (0.36) GAAMAPTKDM4EMAPK1CASP1
SCHEMBL13198020 0.73 MAPK10 (0.61) MAPK9MAPK10SGK1ROCK2RPS6KA5

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-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles MERCK SERONO SA (CH) 2010-05-13 US disclosed
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles MERCK SERONO SA (CH) 2010-05-13 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US 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
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
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US disclosed
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 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 (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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 MAPK9 3960/4885MAPK10 3176/4885SGK1 240/4885
US-20100121057-A1 Process for the Preparation of Piperazine Benzothiazoles NUDT1, BRD1, BRD4 MAPK9 3286/4885MAPK10 3620/4885SGK1 4805/4885

“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.