SCHEMBL1195462

SCHEMBL1195462

CC(=O)c1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.51
▸ AKR1C2 P52895 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CREBBP Q92793 1/20 0.40

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
SCHEMBL29495930 1.00 AKR1C3 (0.51) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL1169066 0.82 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL22628424 0.80 AKR1C3 (0.44) AKR1C3AKR1C2NPC1RAB9APTGS1
SCHEMBL477610 0.80 AKR1C3 (0.51) AKR1C3AKR1C2ALDH1A1TDP1L3MBTL1
SCHEMBL28967024 0.79 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL20560610 0.78 AKR1C3 (0.50) AKR1C3AKR1C2KMT2ASMN1; SMN2NPC1
SCHEMBL279656 0.78 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL1194372 0.76 GSK3B (0.52) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL1633802 0.76 ALDH1A1 (0.58) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL30782680 0.76 ALDH1A1 (0.58) AKR1C3AKR1C2ALDH1A1KMT2AMEN1

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-4570800-A1 CRYSTAL FORM OF PYRIDINOPYRIMIDINONE COMPOUND, ACID SALT THEREOF, CRYSTAL FORM OF ACID SALT THEREOF, AND USE Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-06-18 — — EP disclosed
US-20240166645-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-05-23 — — US disclosed
CN-117534667-A Crystal forms of pyridopyrimidinone compound, acid salts thereof, crystal forms of acid salts thereof and use 武汉人福创新药物研发中心有限公司 2024-02-09 — — CN disclosed
CN-117357650-A Pharmaceutical composition comprising SOS1 inhibitor 武汉人福创新药物研发中心有限公司 2024-01-09 — — CN disclosed
EP-4289843-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-13 — — EP disclosed
EP-4289843-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-13 — — EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 — — EP disclosed
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 — — US disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 — — WO disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 — — WO disclosed
CN-114907341-A Pyridopyrimidinone derivatives, and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-08-16 — — CN disclosed
WO-2022166974-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-08-11 — — WO disclosed
WO-2022148442-A1 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-07-14 — — WO disclosed
WO-2022148442-A1 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-07-14 — — WO disclosed
CN-114716478-A 6-substituted phosphoryl quinazoline derivative and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-07-08 — — CN disclosed
WO-2020221209-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-11-05 — — WO disclosed
US-8466169-B2 SF5 derivatives as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-06-18 — — US disclosed
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-7863269-B2 protease-activated receptor 1 (PAR1) inhibitors such as 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3-iminoimidazo[1,5-a]pyridin-2-yl)ethanone, used as anticoagulants SANOFI-AVENTIS (FR) 2011-01-04 — — US disclosed
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-07-30 — — US 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 (4 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-20240166645-A1 PYRIDOPYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SOS1, WEE1, SOS2 AKR1C3 1020/4885AKR1C2 466/4885ALDH1A1 1043/4885
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 AKR1C3 1858/4885AKR1C2 1947/4885ALDH1A1 2243/4885
US-20090192150-A1 IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY F2R, TFPI, F2RL1 AKR1C3 1437/4885AKR1C2 2308/4885ALDH1A1 504/4885
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 AKR1C3 924/4885AKR1C2 2356/4885ALDH1A1 3141/4885

“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.

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