SCHEMBL2878978

SCHEMBL2878978

COc1cccc(CCNc2nccc(C(C#N)c3nc4ccccc4s3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.71
MAPK9 P45984 10/20 0.71
MAPK8 P45983 2/20 0.71
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
DHODH Q02127 1/20 0.37
KMT2A Q03164 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
SCHEMBL2883033 0.91 MAPK10 (0.72) MAPK10MAPK9MAPK8ADORA2AADORA3
SCHEMBL2885601 0.88 MAPK10 (0.69) MAPK10MAPK9MAPK8MAPTRAB9A
SCHEMBL4022971 0.87 MAPK10 (0.84) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL2881641 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8MAPTRAB9A
SCHEMBL2883234 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8MAPTRAB9A
SCHEMBL2878587 0.85 MAPK10 (0.72) MAPK10MAPK9MAPK8MAPTRAB9A
SCHEMBL2885549 0.85 MAPK10 (0.71) MAPK10MAPK9MAPK8MKNK2RAB9A
SCHEMBL2879038 0.84 MAPK10 (0.75) MAPK10MAPK9MAPK8MAPTRAB9A
SCHEMBL7710253 0.84 MAPK10 (0.63) MAPK10MAPK9MAPK8ADORA2AADORA2B
SCHEMBL2881166 0.83 MAPK10 (0.72) MAPK10MAPK9MAPK8MAPTRAB9A

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 31 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
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US claimed
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-11-08 US 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-8592414-B2 JNK inhibitors for the treatment of endometriosis Merck Serono, S.A. (CH) 2013-11-26 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-20070088017-A1 Benzothiazole derivatives for the treatment of diabetes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-04-19 US disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
EP-1450792-B1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS (AN) 2006-09-27 EP disclosed
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-06-02 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20030162794-A1 Benzazole derivatives and their use as jnk modulators MAPK1, MAPK3, MAPKAPK2 MAPK10 46/4885MAPK9 24/4885MAPK8 10/4885
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 MAPK10 3/4885MAPK9 28/4885MAPK8 12/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 MAPK10 40/4885MAPK9 36/4885MAPK8 47/4885
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-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 MAPK10 3441/4885MAPK9 2042/4885MAPK8 3717/4885
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.