SCHEMBL2883053

SCHEMBL2883053

N#CCc1ccnc(NCCc2ccc([NH+]([O-])O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 2/20 0.37
OGA O60502 3/20 0.37
HTR7 P34969 3/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MKNK1 Q9BUB5 9/20 0.34
MKNK2 Q9HBH9 8/20 0.34

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
SCHEMBL27514125 0.84 ULK1 (0.41) MRGPRX1OGAHTR7ADRA2BADRA2C
SCHEMBL27570733 0.82 MRGPRX1 (0.40) MRGPRX1OGAHTR7ADRA2BADRA2C
SCHEMBL28742511 0.82 OGA (0.40) MRGPRX1OGAHTR7ADRA2BADRA2C
SCHEMBL27537476 0.82 HTR7 (0.49) MRGPRX1OGAHTR7ADRA2BADRA2C
SCHEMBL2883441 0.81 OGA (0.53) OGAHTR7ADRA2BADRA2CSLC6A2
SCHEMBL2883059 0.81 OGA (0.38) MRGPRX1OGAHTR7ADRA2BADRA2C
SCHEMBL2881341 0.80 OGA (0.46) OGAHTR7ADRA2BADRA2CSLC6A2
SCHEMBL27657479 0.79 CCNT1 (0.50) CCNT1CCNA2CDK2CDK9
SCHEMBL27514461 0.77 OGA (0.44) OGAHTR7ADRA2BADRA2CSLC6A2
SCHEMBL2884302 0.76 MAPK9 (0.44) MKNK1MKNK2CCNA2CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US 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-8592414-B2 JNK inhibitors for the treatment of endometriosis Merck Serono, S.A. (CH) 2013-11-26 US disclosed
US-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 US disclosed
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2009-07-09 US disclosed
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US disclosed
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US disclosed
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 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

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

For each of this compound's patents that has machine-readable text (4 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-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 MRGPRX1 2169/4885OGA 2071/4885HTR7 2011/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 MRGPRX1 1562/4885OGA 3903/4885HTR7 3021/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 MRGPRX1 2083/4885OGA 1988/4885HTR7 3628/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 MRGPRX1 3631/4885OGA 4845/4885HTR7 3728/4885

“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.