SCHEMBL2409010

SCHEMBL2409010

Cc1ccnc(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.53
CYP3A4 P08684 10/20 0.53
CYP2C19 P33261 10/20 0.53
CYP2D6 P10635 8/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HIF1A Q16665 1/20 0.51
GBA1 P04062 1/20 0.51
CYP2C9 P11712 2/20 0.50
MAPK14 Q16539 1/20 0.48
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSD11B1 P28845 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL4564446 0.86 GRM5 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL10678910 0.84 DPP4 (0.44) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL9369946 0.84 GRM5 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL2666286 0.83 KMO (0.47) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL8365591 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL27783350 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL10940020 0.81 CYP19A1 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL9370612 0.80 CYP19A1 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
Methyl Alcohol SCHEMBL10711710 0.80 MAPK14 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL2666250 0.79 MAPT (0.50) HSP90AA1HSD11B1L3MBTL1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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 (2 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CYP1A2 249/4885CYP3A4 76/4885CYP2C19 660/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CYP1A2 249/4885CYP3A4 76/4885CYP2C19 660/4885

“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.