SCHEMBL24998589

SCHEMBL24998589

Oc1ccnc(OC(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.34
▸ TLR7 Q9NYK1 3/20 0.33
▸ KMO O15229 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL17253049 0.77 L3MBTL1 (0.42) CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL16289613 0.76 UHRF1 (0.45) DYRK1AMEN1KMT2ASMN1; SMN2NOS3
SCHEMBL23717247 0.76 TRPV4 (0.32) CYP1A2CYP2D6CYP2C19NOS3NOS2
SCHEMBL23005292 0.76 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19NOS3NOS2
SCHEMBL30488651 0.76 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19NOS3NOS2
SCHEMBL2303631 0.76 NOS3 (0.38) CYP1A2NPC1RAB9AABL1MEN1
SCHEMBL16289610 0.76 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19NOS3NOS2
SCHEMBL2304236 0.74 KDM4C (0.50) KMOAURKATPX2SYK
SCHEMBL19023296 0.73 DEGS1 (0.36) TLR7CYP1A2CYP2C19KMT2A
SCHEMBL9005090 0.73 CYP11B1 (0.43) TRPV1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 — — US disclosed
CN-119161343-A Bridged pyrimidinone compounds, preparation method thereof, pharmaceutical composition and application thereof 上海深势唯思科技有限责任公司 2024-12-20 — — CN disclosed
CN-119143780-A Lp-PLA2 inhibitor, preparation method thereof, pharmaceutical composition and application thereof 上海深势唯思科技有限责任公司 2024-12-17 — — CN disclosed
CN-119080800-A Tricyclic pyrimidinone compounds, preparation method thereof, pharmaceutical composition and application thereof 上海深势唯思科技有限责任公司 2024-12-06 — — CN 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
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
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
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 — — CN disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 — — EP 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
EP-4056571-A1 TRICYCLIC DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-09-14 — — EP disclosed
CN-114805389-A Tricyclic dihydroimidazopyrimidinone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-07-29 — — CN disclosed
CN-112778331-B Tricyclic dihydroimidazopyrimidinone derivatives, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-07-05 — — CN 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-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B TRPV1 1557/4885TLR7 1152/4885KMO 1192/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD TRPV1 90/4885TLR7 201/4885KMO 3918/4885
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 TRPV1 185/4885TLR7 512/4885KMO 1414/4885

“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.

Send feedback