Sugi Predict

Sugi Predict / Compounds / SCHEMBL4020646

SCHEMBL4020646

SCHEMBL4020646

N#CC(c1ccnc(NCCc2ccc([NH+]([O-])O)cc2)n1)c1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 11/20 0.70
▸ MAPK9 P45984 10/20 0.70
▸ MAPK8 P45983 2/20 0.70
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33

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
SCHEMBL4023159 0.88 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL4022971 0.88 MAPK10 (0.84) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL4026673 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2886187 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2884761 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2879038 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2881373 0.87 MAPK10 (0.75) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL4020678 0.86 MAPK10 (0.72) MAPK10MAPK9MAPK8NPC1RAB9A
SCHEMBL2884069 0.84 MAPK10 (0.70) MAPK10MAPK9MAPK8
SCHEMBL2883033 0.84 MAPK10 (0.72) MAPK10MAPK9MAPK8LMNAMAPT

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 17 patents. 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
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-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

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.