SCHEMBL3313252

SCHEMBL3313252

O=C1NCc2cnccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
MB P02144 1/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP1A2 P05177 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 1/20 0.36
CRBN Q96SW2 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXAS1 P24557 1/20 0.36
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 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
SCHEMBL6684530 0.85 CYP11B1 (0.53) CYP11B1CYP11B2PDE3BPDE3AMB
SCHEMBL24982426 0.81 CHRNB2 (0.47) CYP11B1CYP11B2PDE3BPDE3ACHRNB2
SCHEMBL19553105 0.78 PDE3B (0.42) CYP11B1CYP11B2PDE3BPDE3ACHRNB2
SCHEMBL658301 0.74 PDE3B (0.59) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL45104 0.74 HTR5A (0.53) CYP11B1CYP11B2PDE3BPDE3AMAPK1
SCHEMBL26463267 0.73 CYP11B1 (0.62) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
SCHEMBL3462883 0.73 CYP11B1 (0.56) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
Bromide SCHEMBL15650437 0.73 PDE3B (0.57) CYP11B1CYP11B2PDE3BPDE3ACYP1A2
Pyrimidine SCHEMBL29145816 0.73 CYP11B1 (0.52) CYP11B1CYP11B2PDE3BPDE3ACRBN
SCHEMBL3959190 0.72 PDE3B (0.40) CYP11B1CYP11B2PDE3BPDE3ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010848-A Preparation method and detection method of key intermediate of dihydropyrido [4,3-d ] pyrimidinone analogue 河北安健成益医药科技有限公司 2026-05-12 CN claimed
EP-4051677-B1 BICYCLIC NITROGEN CONTAINING HETEROCYCLES AS INHIBITORS OF SALT-INDUCED KINASE SIK2 CANCER RESEARCH TECH LTD (GB) 2026-03-18 EP claimed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP claimed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO claimed
CN-122010848-A Preparation method and detection method of key intermediate of dihydropyrido [4,3-d ] pyrimidinone analogue 河北安健成益医药科技有限公司 2026-05-12 CN disclosed
CN-122010848-A Preparation method and detection method of key intermediate of dihydropyrido [4,3-d ] pyrimidinone analogue 河北安健成益医药科技有限公司 2026-05-12 CN disclosed
CN-122010848-A Preparation method and detection method of key intermediate of dihydropyrido [4,3-d ] pyrimidinone analogue 河北安健成益医药科技有限公司 2026-05-12 CN disclosed
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
US-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-07-04 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
WO-2008130615-A1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
WO-2008130615-A1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
EP-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP 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 (1 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-20240217974-A1 ISOQUINOLONE COMPOUND AND USE THEREOF CYP4A11, CYP11B2, NQO1 CYP11B1 5/4885CYP11B2 2/4885PDE3B 1777/4885

“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.