SCHEMBL3663241

SCHEMBL3663241

Cn1c(=O)[nH]c2ncncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.44
CASP6 P55212 1/20 0.44
PDE3B Q13370 6/20 0.42
PDE3A Q14432 6/20 0.42
PDE2A O00408 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
CYP3A4 P08684 2/20 0.42
PMP22 Q01453 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL29361697 1.00 APAF1 (0.44) APAF1CASP6PDE3BPDE3APDE2A
SCHEMBL13068121 0.79 DAO (0.36) APAF1CASP6ALDH1A1DAOITGB1
SCHEMBL30110608 0.78 ADORA2A (0.49) PDE3AADORA2AADORA2BMAPTBLM
SCHEMBL30790299 0.78
SCHEMBL13378073 0.78 DAO (0.35) APAF1CASP6DAOITGB1ITGAV
SCHEMBL5956308 0.77 POLB (0.44) CYP3A4DAOITGB1ITGAV
SCHEMBL18759687 0.74 DAO (0.36) DAOITGB1ITGAV
SCHEMBL29410020 0.74 GRIN1 (0.36) DAOITGB1ITGAV
SCHEMBL31142188 0.74 GRIN1 (0.52) LMNAALDH1A1ADORA2AADORA2BKDM4E
SCHEMBL15935921 0.73 CALCRL (0.42) PDE3BPDE3APDE2AALDH1A1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049253-A1 BRIDGED CYCLE‑BASED INHIBITORS OF DNA‑DEPENDENT PROTEIN KINASE AND COMPOSITIONS AND APPLICATION IN GENE EDITING JUNO THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2023220428-A1 COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2022-09-08 US disclosed
WO-2022177302-A1 PYRIMIDINE-FUSED RING COMPOUND WITH DNA-PK INHIBITION ACTIVITY AND USE THEREOF 보령제약 주식회사 2022-08-25 WO disclosed
WO-2022017368-A1 DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2022-01-27 WO disclosed
US-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2021-11-02 US disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-8003792-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 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-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 APAF1 229/4885CASP6 1734/4885PDE3B 1951/4885
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 APAF1 3394/4885CASP6 4501/4885PDE3B 742/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR APAF1 3593/4885CASP6 4141/4885PDE3B 371/4885
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 APAF1 4344/4885CASP6 2310/4885PDE3B 447/4885
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 APAF1 229/4885CASP6 1734/4885PDE3B 1951/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 APAF1 229/4885CASP6 1734/4885PDE3B 1951/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL APAF1 2829/4885CASP6 2320/4885PDE3B 703/4885

“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.