Sugi Predict

Sugi Predict / Compounds / SCHEMBL875987

SCHEMBL875987

SCHEMBL875987

N#Cc1cc(C=O)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ESRRA P11474 2/20 0.44
▸ TTR P02766 1/20 0.43
▸ AR P10275 10/20 0.41
▸ SCN9A Q15858 2/20 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
SCHEMBL29769043 1.00 POLB (0.54) POLBALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL875082 0.88 SCN9A (0.44) POLBALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL14656246 0.86 ESRRA (0.46) ESRRATTRARSCN9A
SCHEMBL14662609 0.84 SLC22A12 (0.53) ESRRAAR
SCHEMBL876526 0.83 ESRRA (0.43) POLBALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL876360 0.83 ESRRA (0.43) POLBALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL876361 0.83 ESRRA (0.43) POLBALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL14656465 0.83 SLC22A12 (0.50) ALDH1A1TTRAR
SCHEMBL875756 0.83 CYP11B1 (0.43) POLBALDH1A1L3MBTL1ESRRATTR
SCHEMBL883763 0.83 CYP1A2 (0.44) POLBALDH1A1L3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 — — US disclosed
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 — — US disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 — — US disclosed
CN-114057740-B Spiropyrimidinone derivatives, method for the production thereof, pharmaceutical compositions and use thereof 上海赛默罗生物科技有限公司 2024-04-02 — — CN disclosed
EP-4324835-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-02-21 — — EP disclosed
CN-114805389-B Tricyclic dihydro-imidazo pyrimidinone derivatives, preparation method, pharmaceutical compositions and uses thereof 上海赛默罗生物科技有限公司 2023-08-29 — — CN disclosed
WO-2023109471-A1 SPIRO PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2023-06-22 — — WO disclosed
WO-2023109471-A1 SPIRO PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2023-06-22 — — WO disclosed
CN-115925721-A Pyrimidone tricyclic derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-04-07 — — CN disclosed
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 — — US disclosed
WO-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-31 — — WO disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 — — WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 — — 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 (6 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 POLB 2244/4885ALDH1A1 3079/4885L3MBTL1 3548/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B POLB 2135/4885ALDH1A1 812/4885L3MBTL1 3307/4885
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 POLB 2531/4885ALDH1A1 846/4885L3MBTL1 3374/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B POLB 3233/4885ALDH1A1 2222/4885L3MBTL1 3347/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 POLB 2619/4885ALDH1A1 2825/4885L3MBTL1 3794/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B POLB 3233/4885ALDH1A1 2222/4885L3MBTL1 3347/4885

“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.