SCHEMBL18291920

SCHEMBL18291920

CC(=O)c1ccc(S(F)(F)(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.44
▸ MAOB P27338 5/20 0.43
▸ MAOA P21397 2/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ DGAT1 O75907 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL22628276 0.82 AKR1C2 (0.44) PDE2ACES2CES1ALDH1A1PTGS1
SCHEMBL1194373 0.79 TSHR (0.37) PDE2AMAOBMAOAHSD17B1ALDH1A1
SCHEMBL1194802 0.79 HSD17B1 (0.34) PDE2AMAOBMAOAHSD17B1ALDH1A1
SCHEMBL1194676 0.79 HSD17B1 (0.38) PDE2AHSD17B1ALDH1A1CYP3A4HPGD
SCHEMBL29372550 0.75 CES2 (0.68) MAOBMAOACES2CES1
SCHEMBL11570 0.75 CES2 (0.68) MAOBMAOACES2CES1
SCHEMBL1194589 0.75 KDM4E (0.44) MAOAALDH1A1HPGDPTGS1PTGS2
SCHEMBL22628274 0.75 PIK3CA (0.39) PDE2ACES2CES1
SCHEMBL29688899 0.74 KMT2A (0.46) MAOBMAOACES2CES1ALDH1A1
SCHEMBL29799863 0.74 MAOB (0.50) MAOBMAOACES2CES1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 — — EP 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
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 — — EP disclosed
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 — — US disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 — — US disclosed
US-20180256575-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-09-13 — — US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 — — US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 — — US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 — — US disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — 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 (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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PDE2A 2/4885MAOB 122/4885MAOA 161/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885MAOB 122/4885MAOA 161/4885
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PDE2A 2/4885MAOB 79/4885MAOA 86/4885
US-20180256575-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885MAOB 79/4885MAOA 86/4885

“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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