SCHEMBL20580884

SCHEMBL20580884

CC(c1ccc(F)cc1)n1nc(COCc2ccccc2)c(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.50
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
AS3MT Q9HBK9 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GHSR Q92847 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
PIK3CD O00329 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL18282716 0.85 PDE2A (0.71) PDE2A
SCHEMBL20581457 0.84 PDE2A (0.49) PDE2A
SCHEMBL20581431 0.80 PDE2A (0.74) PDE2ASLC6A3GHSRKDM4EALDH1A1
SCHEMBL6197245 0.74 TSHR (0.50) MAPTGAATSHRAS3MTGHSR
SCHEMBL3716061 0.73 TSHR (0.43) PDE2AMAPTGAATSHRAS3MT
SCHEMBL18283117 0.71 PDE2A (0.69) PDE2AMAPTGHSRADORA2AKDM4E
SCHEMBL22423044 0.71 PDE2A (0.54) PDE2AGHSR
SCHEMBL18282926 0.70 PDE2A (0.76) PDE2AGHSR
SCHEMBL20500103 0.70 CTSL (0.41) GAATSHRAS3MTGHSRCTSL
SCHEMBL20138449 0.69 PDE2A (0.67) PDE2AGHSRL3MBTL1LMNAGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634964-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP 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
EP-3634964-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-04-15 EP disclosed
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 US disclosed
WO-2018226771-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 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-10934294-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors PDE9A, PDE5A, PDE4D PDE2A 6/4885MAPT 1894/4885GAA 526/4885
US-20200140445-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE2A PDE2A 3/4885MAPT 2036/4885GAA 341/4885
US-11028092-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors PDE9A, PDE5A, PDE4D PDE2A 6/4885MAPT 1894/4885GAA 526/4885
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 PDE2A 7/4885MAPT 2290/4885GAA 411/4885

“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.