SCHEMBL2884298

SCHEMBL2884298

N#CCc1ccnc(NCCN2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
MKNK1 Q9BUB5 4/20 0.46
CXCR4 P61073 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
STAT3 P40763 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL4389383 0.89 MKNK1 (0.56) MKNK1CXCR4KDM4EALDH1A1HPGD
SCHEMBL5102956 0.81 CDK4 (0.53) MKNK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1089672 0.77 CXCR4 (0.72) HRH3MKNK1CXCR4
SCHEMBL2884302 0.76 MAPK9 (0.44) MKNK1KDM4EALDH1A1HPGDGAA
SCHEMBL27537225 0.75 CYP19A1 (0.35) MKNK1KDM4EALDH1A1HPGDMAPT
SCHEMBL2881380 0.74 NUDT1 (0.43) MKNK1KDM4EMAPTPOLB
SCHEMBL9672230 0.74 HRH3 (0.54) HRH3MKNK1ALDH1A1
SCHEMBL11988198 0.74 MKNK1 (0.50) HRH3MKNK1CXCR4KDM4EALDH1A1
SCHEMBL2883333 0.73 MKNK1 (0.45) MKNK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28317564 0.72 ALDH1A1 (0.56) HRH3MKNK1ALDH1A1

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 12 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-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-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-10 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-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 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
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-20030162794-A1 Benzazole derivatives and their use as jnk modulators MAPK1, MAPK3, MAPKAPK2 HRH3 791/4885MKNK1 62/4885CXCR4 1194/4885
US-20070259892-A1 METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK MAP3K20, MAPK3, MAPK10 HRH3 587/4885MKNK1 125/4885CXCR4 989/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 HRH3 4270/4885MKNK1 55/4885CXCR4 2690/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 HRH3 3922/4885MKNK1 55/4885CXCR4 1841/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN HRH3 3484/4885MKNK1 63/4885CXCR4 2002/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 HRH3 320/4885MKNK1 1571/4885CXCR4 761/4885

“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.