SCHEMBL2077595

SCHEMBL2077595

CCCn1ncc(C#N)c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 3/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.36
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4760141 0.90 PKM (0.50) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL2073708 0.88 PKM (0.49) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL1740693 0.87 PKM (0.48) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL1741752 0.87 PKM (0.48) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL1742738 0.87 PKM (0.48) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL11899586 0.87 PKM (0.48) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL2193196 0.85 PKM (0.55) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL174714 0.84 PKM (0.54) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL2077800 0.82 PKM (0.50) PKMFNTAFNTBKMT2AKDM4E
SCHEMBL174800 0.82 PKM (0.53) PKMFNTAFNTBKMT2AKDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071549-B PDE1 inhibitors H.隆德贝克有限公司 2021-11-30 CN disclosed
EP-3442975-B1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-07-29 EP disclosed
US-20200102316-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2020-04-02 US disclosed
US-10538525-B2 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-01-21 US disclosed
US-20190194204-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-06-27 US disclosed
EP-3442975-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2019-02-20 EP disclosed
CN-109071549-A 1,5- dihydro -4H- pyrazolo [3,4-d] pyrimidin-4-one and 1,5- dihydro -4H- pyrazolo [4,3-c] pyridine -4- ketone as PDE1 inhibitor H.隆德贝克有限公司 2018-12-21 CN disclosed
WO-2017178350-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2017-10-19 WO disclosed
US-20170291901-A1 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-12 US disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 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 (6 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-20200102316-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS PDE4A, PDE4B, PDE12 PKM 401/4885FNTA 3581/4885FNTB 3636/4885
US-20190194204-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS PDE4A, PDE4B, PDE12 PKM 401/4885FNTA 3581/4885FNTB 3636/4885
US-10538525-B2 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors PDE4A, PDE4B, PDE12 PKM 401/4885FNTA 3581/4885FNTB 3636/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PKM 586/4885FNTA 3665/4885FNTB 3304/4885
US-20170291901-A1 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 Inhibitors PDE4A, PDE4B, PDE12 PKM 401/4885FNTA 3581/4885FNTB 3636/4885
US-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 PKM 1915/4885FNTA 742/4885FNTB 1415/4885

“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.