SCHEMBL4389383

SCHEMBL4389383

N#CCc1ccnc(NCCN2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.56
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
STAT3 P40763 1/20 0.50
JAK3 P52333 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
SMARCA2 P51531 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EIF2AK2 P19525 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47

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
SCHEMBL5102956 0.93 CDK4 (0.53) MKNK1JAK2JAK1TYK2STAT3
SCHEMBL2884298 0.89 HRH3 (0.47) MKNK1JAK2JAK1TYK2STAT3
SCHEMBL1089886 0.76 CXCR4 (0.64) MKNK1HPGDMEN1KMT2ALMNA
SCHEMBL445071 0.76 CDK4 (0.55) MKNK1HPGDMEN1KMT2ALMNA
SCHEMBL2884302 0.76 MAPK9 (0.44) MKNK1HPGDMEN1KMT2APOLB
SCHEMBL27537225 0.74 CYP19A1 (0.35) MKNK1JAK2JAK1TYK2STAT3
SCHEMBL2881380 0.73 NUDT1 (0.43) MKNK1POLBEIF2AK2KDM4E
SCHEMBL2883333 0.72 MKNK1 (0.45) MKNK1HPGDEIF2AK2ALDH1A1HSD17B10
SCHEMBL18803524 0.71 MKNK1 (1.00) MKNK1JAK2JAK1TYK2STAT3
SCHEMBL2883441 0.71 OGA (0.53) MKNK1HPGDMEN1KMT2ALMNA

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-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-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
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 MKNK1 125/4885JAK2 940/4885JAK1 1097/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 MKNK1 55/4885JAK2 780/4885JAK1 610/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 MKNK1 55/4885JAK2 857/4885JAK1 2035/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN MKNK1 63/4885JAK2 530/4885JAK1 1490/4885

“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.