SCHEMBL4714518

SCHEMBL4714518

CC(C)c1nc(O)c2sccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA2B P29275 5/20 0.56
ADORA1 P30542 4/20 0.56
ADORA3 P0DMS8 2/20 0.56
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE7A Q13946 2/20 0.36
PDE7B Q9NP56 1/20 0.35
HTT P42858 2/20 0.35
AXL P30530 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAPT P10636 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 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
SCHEMBL17297731 0.80 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL4711353 0.80 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL29936044 0.79 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL24943614 0.76 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL13840493 0.76 HTT (0.58) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL25549468 0.76 ADORA3 (0.54) ADORA2AADORA2BADORA1ADORA3PDE4B
SCHEMBL5334843 0.76 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3HTT
SCHEMBL29893499 0.75 AXL (0.39) ADORA2AADORA2BADORA1ADORA3HTT
SCHEMBL55302 0.75 AXL (0.39) ADORA2AADORA2BADORA1ADORA3HTT
SCHEMBL802272 0.75 ADORA2B (0.52) ADORA2AADORA2BADORA1ADORA3PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-20 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 (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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ADORA2A 1159/4885ADORA2B 1075/4885ADORA1 1353/4885
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists CNR1, CNR2, RYR2 ADORA2A 26/4885ADORA2B 87/4885ADORA1 67/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 ADORA2A 6/4885ADORA2B 44/4885ADORA1 37/4885

“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.