SCHEMBL2860558

SCHEMBL2860558

N#Cc1ccc(C2CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ACACB O00763 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 6/20 0.38
FASN P49327 1/20 0.37
PANK3 Q9H999 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM1A O60341 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL18721893 0.91 ESR2 (0.44) KDM4EACACBGLAHTTKMT2A
SCHEMBL22047801 0.91 CHEK1 (0.40) KDM4EACACBGLAHTTKMT2A
SCHEMBL14045979 0.91 KDM4E (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29989 0.87 ACACB (0.38) ACACBCHEK1FASNPANK3ALDH1A1
Hydrochloric Acid SCHEMBL12489003 0.86 CHEK1 (0.49) CHEK1SLC6A3KCNH2TAAR1
SCHEMBL3237238 0.86 ESR2 (0.46) KDM4EACACBGLAHTTKMT2A
SCHEMBL13470580 0.85 FASN (0.39) CHEK1FASNPANK3
SCHEMBL12686799 0.85 FASN (0.39) CHEK1FASNPANK3SLC6A3KCNH2
SCHEMBL3555307 0.85 CHEK1 (0.33) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL3223221 0.83 ACACB (0.38) ACACBCHEK1FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267659-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-21 US disclosed
EP-3144305-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2017-03-22 EP disclosed
US-20160264536-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-15 US disclosed
EP-3061754-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-08-31 EP disclosed
WO-2015174377-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND 日産化学工業株式会社 2015-11-19 WO disclosed
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO 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-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF IL1B, IL1A, CRHR1 KDM4E 4231/4885ACACB 1059/4885GLA 907/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 KDM4E 3797/4885ACACB 512/4885GLA 1067/4885
US-20160264536-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A KDM4E 2320/4885ACACB 2670/4885GLA 112/4885
US-20170267659-A1 METHOD FOR PRODUCING 2-PYRIDONE COMPOUND CYP2B6, CYP2D6, CYP2J2 KDM4E 1684/4885ACACB 2165/4885GLA 1596/4885

“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.