SCHEMBL233405

SCHEMBL233405

CCCn1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 1.00
ADORA1 P30542 5/20 1.00
ADORA2B P29275 1/20 1.00
PI4KA P42356 3/20 0.75
PI4K2B Q8TCG2 3/20 0.75
PI4K2A Q9BTU6 3/20 0.75
PI4KB Q9UBF8 3/20 0.75
ALDH1A1 P00352 1/20 0.66
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NSD3 Q9BZ95 1/20 0.59
AHCY P23526 2/20 0.59
HPGD P15428 1/20 0.57

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
SCHEMBL29387721 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Water SCHEMBL27886802 0.98 ADORA2A (0.97) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1074972 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.89 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4551803 0.89 ADORA2A (0.91) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Methylglyoxal SCHEMBL6013418 0.87 ADORA2A (0.76) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23228230 0.87 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1741560 0.87 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21469779 0.87 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL28228476 0.87 ADORA2A (0.88) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114574454-B Short-chain dehydrogenase, mutant and application thereof 沈阳药科大学 2023-11-17 CN claimed
CN-108503643-A The preparation method of protease inhibitors 泉州易初生物医药科技有限公司 2018-09-07 CN claimed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US claimed
EP-1678175-B1 MEDICAL USE OF ZWITTERIONIC COMPOUNDS BEING CFTR CHANNEL MODULATORS UNIV JOSEPH FOURIER (FR) 2008-02-13 EP claimed
US-20060258612-A1 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-16 US claimed
EP-1678175-A2 CFTR CHANNEL MODULATORS Universite Joseph Fourier (FR) 2006-07-12 EP claimed
WO-2005039589-A2 CFTR CHANNEL MODULATORS UNIVERSITE JOSEPH FOURIER (FR) 2005-05-06 WO claimed
WO-2024010977-A1 BIFACIAL PEPTIDE NUCLEIC ACID PROBES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-01-11 WO disclosed
CN-117343101-A Method for preparing antiviral nucleotide analogues 吉利德科学公司 2024-01-05 CN disclosed
CN-114574454-B Short-chain dehydrogenase, mutant and application thereof 沈阳药科大学 2023-11-17 CN disclosed
WO-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 WO disclosed
CN-107266498-B Method for preparing antiviral nucleotide analogues 吉利德科学公司 2023-10-03 CN disclosed
CN-116355017-A Novel nucleoside reverse transcriptase inhibitors for antiviral use 深圳市塔吉瑞生物医药有限公司 2023-06-30 CN disclosed
US-7772198-B2 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-08-10 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
EP-1678175-B1 MEDICAL USE OF ZWITTERIONIC COMPOUNDS BEING CFTR CHANNEL MODULATORS UNIV JOSEPH FOURIER (FR) 2008-02-13 EP disclosed
US-20060258612-A1 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-16 US disclosed
EP-1678175-A2 CFTR CHANNEL MODULATORS Universite Joseph Fourier (FR) 2006-07-12 EP disclosed
WO-2005039589-A2 CFTR CHANNEL MODULATORS UNIVERSITE JOSEPH FOURIER (FR) 2005-05-06 WO disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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 (2 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-20060258612-A1 CFTR channel modulators CFTR, SCNN1B, SCNN1A ADORA2A 606/4885ADORA1 260/4885ADORA2B 530/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ADORA2A 1048/4885ADORA1 2085/4885ADORA2B 1814/4885

“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.