SCHEMBL16144683

SCHEMBL16144683

COC(=O)C(Cc1ccccc1)n1ccc(Br)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MCL1 Q07820 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GCK P35557 1/20 0.41

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
SCHEMBL16137853 0.89 HSD17B10 (0.47) MEN1KMT2AHSD17B10MAPTPOLB
SCHEMBL16112291 0.88 NOS2 (0.40) MEN1KMT2AMAPTRECQLALDH1A1
SCHEMBL17504045 0.88 NPC1 (0.43) KMT2AMAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL17504017 0.87 PTGER3 (0.39) MAPTPOLBRECQLALDH1A1MCL1
SCHEMBL16144684 0.87 HSD17B10 (0.54) MEN1KMT2AHSD17B10MAPTPOLB
SCHEMBL17503998 0.83 NPC1 (0.41) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL16753139 0.82 MAPK14 (0.50) KMT2ARAB9ANPC1
SCHEMBL16111535 0.77 F9 (0.68) F9
SCHEMBL16753863 0.77 F9 (0.56) F9
SCHEMBL16144668 0.75 ALDH1A1 (0.40) MEN1KMT2AHSD17B10MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138839-B1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
CN-105829298-B A kind of pyridone or pyrimidone derivatives, and its preparation method and application 四川海思科制药有限公司 2019-02-01 CN disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 US disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
CN-105829298-A Pyridone or pyrimidone derivative, preparation method therefor and application thereof 四川海思科制药有限公司 2016-08-03 CN disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
WO-2015120777-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川海思科制药有限公司 2015-08-20 WO disclosed
WO-2015120777-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川海思科制药有限公司 2015-08-20 WO disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 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 (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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI MEN1 1105/4885KMT2A 3115/4885HSD17B10 1681/4885
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof TYMP, DHFR, TYMS MEN1 882/4885KMT2A 3474/4885HSD17B10 1558/4885
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYMP, DHFR, TYMS MEN1 882/4885KMT2A 3474/4885HSD17B10 1558/4885

“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.