SCHEMBL20580888

SCHEMBL20580888

CC(NNC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
NR1I2 O75469 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
P2RX3 P56373 4/20 0.38
P2RX2 Q9UBL9 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX7 Q99572 4/20 0.37
MAPK1 P28482 1/20 0.37
SCN9A Q15858 1/20 0.36
ENPP2 Q13822 3/20 0.36
APLNR P35414 1/20 0.35

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
SCHEMBL29401838 1.00 CYP2C9 (0.42) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL19962270 0.87 CYP2C9 (0.48) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL30277283 0.87 CYP2C9 (0.48) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL20581332 0.83 CYP2C9 (0.46) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL20339323 0.80 LMNA (0.42) LMNAPOLBAPLNR
SCHEMBL16088907 0.80 CYP2C9 (0.55) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL1741864 0.79 GPR139 (0.40) CYP2C9NR1I2GPR139P2RX3P2RX2
SCHEMBL20581073 0.78 TRPA1 (0.44) LMNATRPA1MAPK1APLNR
SCHEMBL20581545 0.77 HTT (0.43) CYP2C9LMNAPOLBCYP2D6CYP2C19
SCHEMBL12322204 0.77 P2RX7 (0.43) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247031-B2 Cyclobutyl pyrazolopyrimidine PDE9 inhibitors MERCK SHARP & DOHME LLC (US) 2025-03-11 US disclosed
EP-3893881-B1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-10-09 EP disclosed
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3634964-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
US-20220017525-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 US disclosed
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 US disclosed
US-11028092-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-08 US disclosed
US-10934294-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-03-02 US disclosed
US-20200140445-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-05-07 US disclosed
CN-111051308-A Pyrazolopyrimidine PDE9 inhibitors 默沙东公司 2020-04-21 CN disclosed
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 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 (7 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-10934294-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors PDE9A, PDE5A, PDE4D CYP2C9 79/4885NR1I2 2752/4885GPR139 541/4885
US-20200140445-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE2A CYP2C9 137/4885NR1I2 2191/4885GPR139 771/4885
US-20220017525-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE3B CYP2C9 211/4885NR1I2 3378/4885GPR139 446/4885
US-11028092-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors PDE9A, PDE5A, PDE4D CYP2C9 79/4885NR1I2 2752/4885GPR139 541/4885
US-12247031-B2 Cyclobutyl pyrazolopyrimidine PDE9 inhibitors PDE9A, PDE5A, PDE3B CYP2C9 211/4885NR1I2 3378/4885GPR139 446/4885
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 CYP2C9 214/4885NR1I2 3527/4885GPR139 661/4885
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 CYP2C9 281/4885NR1I2 3380/4885GPR139 886/4885

“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.