SCHEMBL2113436

SCHEMBL2113436

CC(O)OCn1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
PDE2A O00408 3/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
CFTR P13569 2/20 0.32
PDE5A O76074 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA1 P30542 1/20 0.32
SCN1A P35498 1/20 0.32
PDE6C P51160 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL1767742 0.81 ADORA2A (0.39) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL5503490 0.80 ADORA2A (0.49) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL2113440 0.80 ADORA2A (0.41) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL7672440 0.79 GAA (0.36) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL10863614 0.79 ADORA2A (0.38) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL6434440 0.79 PNP (0.50) ADORA2AADORA2BTSHRPDE4APDE4B
SCHEMBL6268075 0.79 ADORA2A (0.34) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL874734 0.78 ADORA2A (0.45) ADORA2AADORA2BCYP1A2TSHRPDE4A
SCHEMBL9960806 0.78 PNP (0.38) ADORA2AADORA2BCYP1A2PDE4APDE4B
SCHEMBL6271387 0.78 CDK1 (0.37) ADORA2AADORA2BPDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090186070-A1 Particle immobilized coating and uses thereof Surmodics Coatings, LLC 2009-07-23 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 (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-20090186070-A1 Particle immobilized coating and uses thereof SELP, SELPLG, PLAUR ADORA2A 2202/4885ADORA2B 3270/4885PDE2A 615/4885

“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.