SCHEMBL18103202

SCHEMBL18103202

CC(O)c1ccc(CC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.42
NR1I2 O75469 1/20 0.41
PDE2A O00408 7/20 0.40
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
TRPA1 O75762 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
UGT2B7 P16662 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRB1 P08588 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
SCHEMBL18290841 0.84 CYP17A1 (0.47) PDE2AESR1ESR2TRPA1CYP17A1
SCHEMBL12050478 0.83 IDO1 (0.47) PTPN5PDE2ACYP2C9ADRB1
SCHEMBL8908028 0.80 LMNA (0.50) PDE2AESR1ESR2CYP2C9HSD17B2
SCHEMBL28043083 0.79 NR1I2 (0.41) NR1I2PDE2AESR1ESR2HSD17B2
SCHEMBL30238767 0.79 PDE2A (0.50) PDE2AESR1ESR2CYP2C9CYP2C19
SCHEMBL28456089 0.79 PDE2A (0.50) PDE2AESR1ESR2CYP2C9CYP2C19
SCHEMBL7670360 0.76 ESR1 (0.38) ESR1ESR2CYP2C9CYP2C19ALDH1A1
SCHEMBL20382684 0.76 PDE2A (0.36) PDE2AESR1ESR2TRPA1CYP17A1
SCHEMBL22423075 0.76 PDE2A (0.36) PDE2AESR1ESR2CYP17A1CYP2C9
SCHEMBL31201727 0.76 NOS3 (0.41) PTPN5NR1I2NOS3NOS1ESR1

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
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 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
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196417-A1 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
WO-2016192083-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 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 (5 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 PTPN5 759/4885NR1I2 1844/4885PDE2A 2/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PTPN5 759/4885NR1I2 1844/4885PDE2A 2/4885
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PTPN5 925/4885NR1I2 1345/4885PDE2A 1/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PTPN5 925/4885NR1I2 1345/4885PDE2A 1/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PTPN5 663/4885NR1I2 1246/4885PDE2A 2/4885

“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.