SCHEMBL279926

SCHEMBL279926

Cc1ccc(C(=O)NCC2CCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
IKBKB O14920 12/20 0.53
MMP13 P45452 1/20 0.53
OPRM1 P35372 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CHUK O15111 1/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17888386 0.96 SCN9A (0.58) SCN9AIKBKBMMP13OPRM1HDAC4
SCHEMBL17886781 0.86 SCN9A (0.57) SCN9AIKBKBHDAC4HDAC6CHUK
SCHEMBL3036514 0.86 SCN9A (0.54) SCN9AIKBKBHDAC4HDAC6CHUK
SCHEMBL5088410 0.85 ADRB1 (0.60) SCN9AIKBKBOPRM1HDAC4HDAC6
SCHEMBL31188482 0.85 ADRB1 (0.60) SCN9AIKBKBOPRM1HDAC4HDAC6
SCHEMBL8274391 0.85 ADRB1 (0.60) SCN9AIKBKBOPRM1HDAC4HDAC6
SCHEMBL279575 0.84 HPGD (0.59) SCN9AOPRM1HDAC6ROCK2ROCK1
SCHEMBL15149566 0.83 IKBKB (0.39) SCN9AIKBKBMMP13OPRM1HDAC4
SCHEMBL3043463 0.83 SCN9A (0.51) SCN9AIKBKBHDAC4HDAC6CHUK
SCHEMBL20344080 0.83 SCN9A (0.60) SCN9AIKBKBHDAC4HDAC6CHUK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SCN9A 1011/4885IKBKB 819/4885MMP13 3952/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL SCN9A 3955/4885IKBKB 1314/4885MMP13 521/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SCN9A 1011/4885IKBKB 819/4885MMP13 3952/4885

“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.