SCHEMBL2878792

SCHEMBL2878792

N#CCc1ccnc(N2CCN(c3cnccn3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 2/20 0.37
HRH3 Q9Y5N1 6/20 0.37
AOC3 Q16853 1/20 0.37
SLC6A7 Q99884 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAOB P27338 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
SCHEMBL2885117 0.82 MAPT (0.49) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL25489960 0.76 SORD (0.44) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3145713 0.72 SORD (0.48) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2881173 0.67 SCN9A (0.44) HRH3
SCHEMBL3680699 0.66
SCHEMBL1876393 0.66 KDM4E (0.43) KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL5596781 0.65 SORD (0.43) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2320496 0.65 SORD (0.51) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL31014265 0.65 SORD (0.51) SORDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL18228513 0.65 SORD (0.51) SORDKDM4EALDH1A1LMNAL3MBTL1

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 9 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-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 SORD 3621/4885KDM4E 4094/4885ALDH1A1 4458/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 SORD 3875/4885KDM4E 3514/4885ALDH1A1 4785/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 SORD 2623/4885KDM4E 851/4885ALDH1A1 3262/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 SORD 606/4885KDM4E 2705/4885ALDH1A1 267/4885

“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.