Sugi Predict

Sugi Predict / Compounds / SCHEMBL876324

SCHEMBL876324

SCHEMBL876324

C=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.46
▸ NPFFR1 Q9GZQ6 2/20 0.41
▸ NPFFR2 Q9Y5X5 2/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ KDR P35968 3/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ CDK8 P49336 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
SCHEMBL29984723 1.00 AR (0.46) ARNPFFR1NPFFR2CHEK2KDR
SCHEMBL29985730 0.84 AR (0.46) ARNPFFR1NPFFR2CHEK2KDR
SCHEMBL875004 0.84 AR (0.46) ARNPFFR1NPFFR2CHEK2KDR
SCHEMBL9105590 0.83 AR (0.45) ARNPFFR1NPFFR2KDRRAF1
SCHEMBL15262794 0.83 AR (0.55) AR
SCHEMBL9108605 0.82 PLA2G7 (0.45) SCN9A
SCHEMBL17226674 0.82 AR (0.43) ARNPFFR1NPFFR2CHEK2KDR
SCHEMBL9996969 0.81 NPFFR2 (0.53) NPFFR1NPFFR2KDRHDAC1HDAC8
SCHEMBL5668761 0.80 PPARG (0.52) ARCHEK2KDRRAF1IDO1
SCHEMBL9889438 0.80 AR (0.42) ARNPFFR1NPFFR2CHEK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 — — 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
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
WO-2022233302-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 上海赛默罗生物科技有限公司 2022-11-10 — — WO disclosed
CN-115304620-A Pyrimidone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-11-08 — — CN disclosed
CN-114057740-A Spirocyclic pyrimidone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-02-18 — — CN disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 — — US 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-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
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
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 (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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 AR 4068/4885NPFFR1 3269/4885NPFFR2 3013/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B AR 2378/4885NPFFR1 886/4885NPFFR2 1515/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 AR 4420/4885NPFFR1 3335/4885NPFFR2 3143/4885

“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.