SCHEMBL15059508

SCHEMBL15059508

CC(C)(C)OC(=O)c1cn(-c2ccc(Cl)cc2Br)nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
NOTUM Q6P988 7/20 0.45
KCNMA1 Q12791 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL30995018 1.00 GPR119 (0.45) GPR119NOTUMKCNMA1HDAC8GABRA1
SCHEMBL16753150 0.86 NOTUM (0.56) NOTUMKCNMA1HDAC8GABRA2
SCHEMBL31234511 0.86 NOTUM (0.56) NOTUMKCNMA1HDAC8GABRA2
SCHEMBL30994998 0.81 NOTUM (0.52) NOTUMKCNMA1HDAC8GABRA2
SCHEMBL16753902 0.81 NOTUM (0.52) NOTUMKCNMA1HDAC8GABRA2
SCHEMBL16754018 0.80 NOTUM (0.53) NOTUMKCNMA1HDAC8
SCHEMBL30995043 0.80 NOTUM (0.53) NOTUMKCNMA1HDAC8
SCHEMBL24624555 0.78 GPR119 (0.40) GPR119NOTUMKCNMA1GABRA1GABRG2
SCHEMBL29772920 0.78 GPR119 (0.40) GPR119NOTUMKCNMA1GABRA1GABRG2
SCHEMBL31123904 0.77 NOTUM (0.41) GPR119NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 CN disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
CN-112028877-B Alkoxy pyridone compound and preparation method and application thereof 江西济民可信集团有限公司 2021-11-26 CN disclosed
CN-112028877-A Alkoxy pyridone compound and preparation method and application thereof 江西济民可信集团有限公司 2020-12-04 CN disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 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-20150152112-A1 COMPOUNDS F11, F12, F10 GPR119 4003/4885NOTUM 675/4885KCNMA1 2692/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 GPR119 4003/4885NOTUM 675/4885KCNMA1 2692/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 GPR119 4206/4885NOTUM 2442/4885KCNMA1 3111/4885

“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.