SCHEMBL4023738

SCHEMBL4023738

N#CC(c1ccnc(N2CCN(c3cnccn3)CC2)n1)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.56
MAPK9 P45984 10/20 0.56
MAPK8 P45983 2/20 0.51
TACR3 P29371 1/20 0.40
SORD Q00796 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL4018709 0.88 MAPK10 (0.65) MAPK10MAPK9MAPK8TACR3SORD
SCHEMBL2885891 0.86 MAPK10 (0.65) MAPK10MAPK9MAPK8TACR3ALDH1A1
SCHEMBL2886155 0.85 MAPK10 (0.61) MAPK10MAPK9MAPK8TACR3HTR1A
SCHEMBL2878429 0.83 MAPK10 (0.62) MAPK10MAPK9MAPK8TACR3ALDH1A1
SCHEMBL2886037 0.83 MAPK10 (0.61) MAPK10MAPK9MAPK8TACR3ALDH1A1
SCHEMBL2885492 0.82 MAPK10 (0.59) MAPK10MAPK9MAPK8TACR3ALDH1A1
SCHEMBL2881959 0.80 MAPK10 (0.64) MAPK10MAPK9MAPK8ALDH1A1HTR1A
SCHEMBL7398755 0.78 MAPK10 (0.64) MAPK10MAPK9MAPK8ALDH1A1HSD17B10
SCHEMBL2883388 0.78 MAPK10 (0.58) MAPK10MAPK9MAPK8TACR3ALDH1A1
SCHEMBL4024340 0.76 MAPK10 (0.52) MAPK10MAPK9MAPK8TACR3ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-24 US claimed
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US claimed
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US claimed
US-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-04-19 US claimed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP claimed
US-20030162794-A1 Benzazole derivatives and their use as jnk modulators MERCK SERONO SA (CH) 2003-08-28 US claimed
US-20140107116-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK SERONO SA (CH) 2014-04-17 US disclosed
US-8658640-B2 JNK inhibitors for the treatment of endometriosis MERCK SERONO SA (CH) 2014-02-25 US disclosed
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-24 US disclosed
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-10 US disclosed
US-20090176762-A1 JNK Inhibitors for Treatment of Skin Diseases LABORATOIRES SERONO SA (CH) 2009-07-09 US disclosed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP 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-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-04-19 US disclosed
EP-1450792-B1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS (AN) 2006-09-27 EP disclosed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP disclosed
US-20030162794-A1 Benzazole derivatives and their use as jnk modulators MERCK SERONO SA (CH) 2003-08-28 US disclosed
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 EP 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-20090176762-A1 JNK Inhibitors for Treatment of Skin Diseases MAPKAPK2, JUN, MAP3K13 MAPK10 35/4885MAPK9 33/4885MAPK8 31/4885
US-20030162794-A1 Benzazole derivatives and their use as jnk modulators MAPK1, MAPK3, MAPKAPK2 MAPK10 46/4885MAPK9 24/4885MAPK8 10/4885
US-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes GPR119, GLS2, GLS MAPK10 3255/4885MAPK9 4264/4885MAPK8 3132/4885
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN MAPK10 40/4885MAPK9 49/4885MAPK8 32/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN MAPK10 40/4885MAPK9 49/4885MAPK8 32/4885
US-20140107116-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES GPR119, GLS2, GLS MAPK10 3544/4885MAPK9 4459/4885MAPK8 3307/4885

“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.