SCHEMBL2881380

SCHEMBL2881380

N#CCc1ccnc(NCCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
KCNH3 Q9ULD8 3/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CDK5 Q00535 1/20 0.38
PAX8 Q06710 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MERTK Q12866 3/20 0.38
AXL P30530 2/20 0.38
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
GAS6 Q14393 2/20 0.38
KDM4D Q6B0I6 1/20 0.38
MAPK9 P45984 1/20 0.37

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
SCHEMBL2884302 0.91 MAPK9 (0.44) KDM4EMAPTMAPK1MERTKFLT3
SCHEMBL2883333 0.78 MKNK1 (0.45) KCNH3KDM4ENPC1HTTRAB9A
SCHEMBL27514125 0.78 ULK1 (0.41) NPC1RAB9AMKNK1MKNK2ADORA1
SCHEMBL2883441 0.77 OGA (0.53) KCNH3KDM4EMAPTHTTRAB9A
SCHEMBL5102956 0.77 CDK4 (0.53) KDM4ENPC1RAB9AMERTKTYRO3
SCHEMBL28742511 0.75 OGA (0.40) MKNK1MKNK2HRH4
SCHEMBL27537476 0.75 HTR7 (0.49) MAPTHTTHRH4
SCHEMBL27570733 0.75 MRGPRX1 (0.40) MKNK1MKNK2HRH4
SCHEMBL2883059 0.75 OGA (0.38) MKNK1MKNK2HRH4
SCHEMBL2878987 0.75 MKNK1 (0.43) KCNH3KDM4EMAPTMAPK1RAB9A

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 11 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
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP 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-20050119277-A1 Benzazole derivatives for the treatment of scleroderma APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-06-02 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 (5 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 NUDT1 2306/4885KCNH3 1948/4885PIK3C3 704/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 NUDT1 4628/4885KCNH3 2595/4885PIK3C3 553/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 NUDT1 4335/4885KCNH3 3798/4885PIK3C3 1041/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN NUDT1 4123/4885KCNH3 4403/4885PIK3C3 825/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 NUDT1 3796/4885KCNH3 1142/4885PIK3C3 2244/4885

“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.