SCHEMBL2113440

SCHEMBL2113440

CC(O)OCn1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA2B P29275 5/20 0.41
CDK1 P06493 7/20 0.40
CCNB1 P14635 7/20 0.40
CCNA2 P20248 7/20 0.40
CDK2 P24941 7/20 0.40
CCNA1 P78396 7/20 0.40
CFTR P13569 2/20 0.40
MGMT P16455 2/20 0.39
PDE2A O00408 2/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
PNP P00491 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE5A O76074 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL15013384 0.85 MEN1 (0.40) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL3512359 0.84 PDE4A (0.37) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL20497218 0.84 CDK1 (0.36) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL2343362 0.83 ADORA2A (0.44) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL2249888 0.82 ADORA2A (0.39) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL1767750 0.81 ADORA2A (0.47) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL5504400 0.80 ADORA2A (0.59) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL2113436 0.80 ADORA2A (0.33) ADORA2AADORA2BCFTRPDE2APDE1A
SCHEMBL10421281 0.80 CDK1 (0.49) ADORA2AADORA2BCDK1CCNB1CCNA2
SCHEMBL7672454 0.79 MGMT (0.41) ADORA2AADORA2BCDK1CCNB1CCNA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116528851-A Pharmaceutical formulation of griseofulvin for long-term ocular delivery 普渡研究基金会 2023-08-01 CN disclosed
CN-112138212-B Active extracellular matrix, composition containing active extracellular matrix, 3D tissue repair scaffold, preparation method and application 上海市东方医院(同济大学附属东方医院) 2023-01-10 CN disclosed
CN-112138212-A Active extracellular matrix, composition containing active extracellular matrix, 3D tissue repair scaffold, preparation method and application 上海市东方医院(同济大学附属东方医院) 2020-12-29 CN disclosed
US-8679454-B2 Particle immobilized coatings and uses thereof SURMODICS, INC. (US) 2014-03-25 US disclosed
US-8158106-B2 Drug delivery; microparticles immobilized on polymer surface SURMODICS, INC. (US) 2012-04-17 US disclosed
US-7794751-B2 Medicament incorporation matrix SURMODICS, INC. (US) 2010-09-14 US disclosed
US-20090186070-A1 Particle immobilized coating and uses thereof Surmodics Coatings, LLC 2009-07-23 US disclosed
US-20080213334-A1 Mixture of cationic polymer, anionic polymer and drug, that forms blended coatings and/or hydrogel coatings for controlled release of said drug from medical devices coated with or containing such media Surmodics Coatings, LLC 2008-09-04 US disclosed
US-20080089919-A1 Such as heparin cofactor II binding activity; antithromin W. L. GORE & ASSOCIATES, INC. 2008-04-17 US disclosed
US-20060216324-A1 Composition and method for preparing biocompatible surfaces Surmodics Coatings, LLC 2006-09-28 US disclosed
US-20060165751-A1 Medicament incorporation matrix Surmodics Coatings, LLC 2006-07-27 US disclosed
US-20050281857-A1 Methods and reagents for preparing biomolecule-containing coatings Surmodics Coatings, LLC 2005-12-22 US disclosed
US-20050220842-A1 Coating compositions for bioactive agents Surmodics Coatings, LLC 2005-10-06 US disclosed
EP-1434571-B1 PARTICLE IMMOBILIZED COATINGS AND USES THEREOF SURMODICS INC (US) 2005-05-11 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 (3 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-20090186070-A1 Particle immobilized coating and uses thereof SELP, SELPLG, PLAUR ADORA2A 2202/4885ADORA2B 3270/4885CDK1 2652/4885
US-20060216324-A1 Composition and method for preparing biocompatible surfaces F12, FGF23, C3AR1 ADORA2A 754/4885ADORA2B 1110/4885CDK1 1457/4885
US-20050220842-A1 Coating compositions for bioactive agents BMP2, FGF23, TGFB1 ADORA2A 1277/4885ADORA2B 1829/4885CDK1 2103/4885

“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.