SCHEMBL2881173

SCHEMBL2881173

N#CCc1ccnc(N2CCC(OCc3ccccc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
ACHE P22303 8/20 0.42
NAAA Q02083 3/20 0.41
TMEM97 Q5BJF2 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
OGA O60502 1/20 0.37
KCNH2 Q12809 1/20 0.37
RET P07949 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
SCHEMBL2885117 0.76 MAPT (0.49)
SCHEMBL5596677 0.74 CARM1 (0.45) SCN9ACTSLCTSBCTSKACHE
SCHEMBL3247747 0.73 SCN9A (0.54) SCN9ATMEM97CARM1PRMT6SIGMAR1
SCHEMBL4026422 0.72 MAPK10 (0.62) SCN9AACHE
SCHEMBL16447595 0.71 HRH3 (0.51) CTSLCTSBCTSKNAAATMEM97
SCHEMBL2884104 0.71 ALDH1A1 (0.42)
SCHEMBL29563196 0.67 CARM1 (0.48) SCN9ACTSLCTSBCTSKNAAA
SCHEMBL27158553 0.67 NPC1 (0.59) TMEM97CARM1PRMT6SIGMAR1PRMT8
SCHEMBL2878792 0.67 SORD (0.49) HRH3
SCHEMBL4031515 0.66 KDM4E (0.59) ACHE

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 8 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-7776854-B2 Benzazole derivatives for the treatment of scleroderma MERCK SERONO SA (CH) 2010-08-17 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
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP 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 (3 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 SCN9A 4158/4885CTSL 4151/4885CTSB 3126/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 SCN9A 1818/4885CTSL 4645/4885CTSB 3334/4885
US-20050119277-A1 Benzazole derivatives for the treatment of scleroderma SMAD3, SQOR, TNNI3 SCN9A 2613/4885CTSL 3358/4885CTSB 2688/4885

“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.