SCHEMBL2171563

SCHEMBL2171563

Cc1nc(Cl)cc2c(N)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
PARP1 P09874 4/20 0.42
KEAP1 Q14145 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL28651540 0.81 CYP1A2 (0.46) NR4A2HPGDPARP1KMT2AMEN1
SCHEMBL31728835 0.81 NR4A2 (0.47) NR4A2KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL1349603 0.81 KDM4E (0.55) NR4A2KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL2172222 0.78 ALDH1A1 (0.42) NR4A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL31729412 0.78 ALDH1A1 (0.42) NR4A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5659949 0.73 HSD17B10 (0.42) KDM4ETDP1ALDH1A1HSD17B10HPGD
SCHEMBL2170888 0.72 CYP2A6 (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL2191003 0.71 TDP1 (0.52) KDM4ETDP1ALDH1A1HSD17B10TSHR
SCHEMBL18730881 0.71 ADORA2B (0.46) KDM4EALDH1A1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL9433849 0.71 CYP2A6 (0.45) KDM4EALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651820-A Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-11-16 CN disclosed
CN-110382500-B Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-110382500-A Carbamide compounds for IDO and TDO double inhibitor 正大天晴药业集团股份有限公司 2019-10-25 CN disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 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 (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-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 NR4A2 406/4885KDM4E 4573/4885TDP1 4792/4885

“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.