SCHEMBL4712508

SCHEMBL4712508

Oc1nc(C2CC2)nc2ccsc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.57
ADORA1 P30542 5/20 0.57
ADORA3 P0DMS8 3/20 0.57
ADORA2B P29275 3/20 0.57
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PDE7A Q13946 4/20 0.33
PDE4B Q07343 3/20 0.33
AXL P30530 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
SCHEMBL55302 0.74 AXL (0.39) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL29893499 0.74 AXL (0.39) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL14105846 0.73 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL8945519 0.71 AXL (0.37) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL13236422 0.71 ADORA2A (0.53) ADORA2AADORA1NPC1RAB9AMAPT
SCHEMBL5334843 0.71 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL9381642 0.70 HTR2C (0.57) ADORA2AADORA1ADORA3ADORA2BPIK3CA
SCHEMBL9381944 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BPDE4B
SCHEMBL18701478 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BHTT
SCHEMBL4714518 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BMAPT

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
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 (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-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists CNR1, CNR2, RYR2 ADORA2A 26/4885ADORA1 67/4885ADORA3 70/4885
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 6/4885ADORA1 37/4885ADORA3 10/4885

“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.