SCHEMBL3673531

SCHEMBL3673531

c1csc(-c2nc(-c3nccs3)c3sccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.58
ADORA1 P30542 17/20 0.58
ADORA3 P0DMS8 5/20 0.55
ADORA2B P29275 5/20 0.55
CYP19A1 P11511 1/20 0.39
PDE5A O76074 1/20 0.38

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
SCHEMBL14095493 0.75 ADORA2A (0.59) ADORA2AADORA1ADORA3PDE5A
SCHEMBL14095195 0.74 ADORA2A (0.50) ADORA2AADORA1ADORA3PDE5A
SCHEMBL3679573 0.74 ADORA1 (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3684455 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4648 0.74 PDPK1 (0.56) CYP19A1
Bromide SCHEMBL29229946 0.72 PDPK1 (0.54) CYP19A1
SCHEMBL3673669 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1754983 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3677518 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017693 0.71 HSP90AA1 (0.47) ADORA2AADORA1ADORA3ADORA2BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 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-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-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-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-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

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-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 ADORA2A 6/4885ADORA1 15/4885ADORA3 38/4885
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.