SCHEMBL1718320

SCHEMBL1718320

N#Cc1cnn(C2CCOCC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
PKM P14618 1/20 0.44
LRRK2 Q5S007 3/20 0.44
PDE4D Q08499 2/20 0.43
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
HTT P42858 1/20 0.35
XDH P47989 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
IKBKB O14920 1/20 0.34
PDE9A O76083 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
SCHEMBL7879094 0.91 PKM (0.46) PIK3CDPKMLRRK2PDE4DALOX15
SCHEMBL19434452 0.89 PKM (0.50) PIK3CDPKMALOX15KMT2AKDM4E
SCHEMBL1665273 0.85 PKM (0.55) PKMALOX15KMT2AKDM4EMEN1
SCHEMBL1718493 0.85 PKM (0.51) PKMALOX15KMT2AKDM4EMEN1
SCHEMBL6342254 0.84 PKM (0.44) PIK3CDPKMLRRK2ALOX15KMT2A
SCHEMBL2076461 0.84 PKM (0.57) PKMALOX15KMT2AKDM4EMEN1
SCHEMBL7986027 0.82 PKM (0.47) PIK3CDPKMLRRK2ALOX15KMT2A
SCHEMBL7883515 0.81 PKM (0.48) PIK3CDPKMALOX15KMT2AKDM4E
SCHEMBL1717485 0.81 PKM (0.44) PIK3CDPKMALOX15KMT2AKDM4E
SCHEMBL15417567 0.80 PKM (0.39) PKMLRRK2ALOX15KMT2AKDM4E

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 56 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
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-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
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
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-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 WO disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 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 PIK3CD 388/4885PKM 401/4885LRRK2 2245/4885
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 PIK3CD 3377/4885PKM 265/4885LRRK2 1355/4885
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 PIK3CD 388/4885PKM 401/4885LRRK2 2245/4885
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 PIK3CD 388/4885PKM 401/4885LRRK2 2245/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PIK3CD 597/4885PKM 827/4885LRRK2 245/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PIK3CD 586/4885PKM 787/4885LRRK2 190/4885

“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.