SCHEMBL995799

SCHEMBL995799

N#Cc1ccnc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.44
MYC P01106 1/20 0.43
XDH P47989 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPY5R Q15761 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2A6 P11509 1/20 0.36
CHEK1 O14757 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GRM5 P41594 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL29598148 1.00 CLK4 (0.44) CLK4MYCXDHABCG2NPY5R
SCHEMBL12804615 0.85 CLK4 (0.40) CLK4MYCNPY5RKCNH2CYP2A6
SCHEMBL2717380 0.85 CLK4 (0.40) CLK4MYCNPY5RKCNH2CYP2A6
SCHEMBL29581517 0.85 CLK4 (0.40) CLK4MYCNPY5RKCNH2CYP2A6
SCHEMBL455636 0.85 MYC (0.44) CLK4MYCXDHABCG2NPY5R
SCHEMBL2173234 0.78 MYC (0.36) MYCXDHABCG2GRM5GABRA1
SCHEMBL9792841 0.78 CLK4 (0.61) CLK4MYCGRM5GABRA1GABRG2
SCHEMBL31133396 0.78 MYC (0.62) MYCXDHABCG2NPY5RCHEK1
SCHEMBL9792895 0.78 MYC (0.62) MYCXDHABCG2NPY5RCHEK1
SCHEMBL9792784 0.78 NPY5R (0.45) CLK4NPY5RKCNH2KDM4CGRM5

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 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN claimed
CN-110635167-B Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2021-04-20 CN claimed
US-20210111432-A1 ELECTROLYTE ADDITIVES AND FORMULATIONS FOR ENERGY STORAGE DEVICES TESLA, INC. 2021-04-15 US claimed
CN-110635167-A Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2019-12-31 CN claimed
CN-107240679-B Nitrogen-doped carbon conductive nano network/sulphur composite material, preparation method and purposes 国家纳米科学中心 2019-11-22 CN claimed
CN-103996861-B A kind of purposes of the polymerizate that aromatic nitrile compounds polymerize to obtain as oxygen reduction catalyst 国家纳米科学中心 2018-01-09 CN claimed
CN-107240679-A Nitrogen-doped carbon conductive nano network/sulphur composite, preparation method and purposes 国家纳米科学中心 2017-10-10 CN claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
CN-104014367-B A kind of carbon back Nonmetal oxygen reduction catalyst, preparation method and its usage 国家纳米科学中心 2016-08-17 CN claimed
CN-103456510-B A kind of electrode material of ultracapacitor STATE NANOMETER SCIENCE CENTER (CN) 2016-04-13 CN claimed
CN-102753604-A Polyamine and method for producing the same RHODIA OPERATIONS 2012-10-24 CN claimed
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP claimed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US claimed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO claimed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US claimed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120130071-A1 METHOD FOR OXIDIZING METHANE TST, MGMT, PMS2 CLK4 2111/4885MYC 2232/4885XDH 51/4885

“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.