SCHEMBL3679947

SCHEMBL3679947

CCOC(=O)Cc1c[nH]c(-c2nc(N(C)C)nc3ccsc23)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.51
ADORA1 P30542 16/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
NPC1 O15118 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
SCHEMBL3679944 0.73 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL11201971 0.68 MEN1 (0.48) MEN1KMT2A
SCHEMBL3674479 0.68 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8212933 0.66 KMT2A (0.48) MEN1KMT2A
SCHEMBL3683033 0.66 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13257865 0.64 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL16115753 0.64 MAPK1 (0.49) MEN1KMT2A
SCHEMBL3676665 0.64 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3677951 0.63 ADORA2A (0.67) ADORA2AADORA1MEN1KMT2AADORA2B
SCHEMBL7826351 0.63 KMT2A (0.44) MEN1KMT2A

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-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-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 15/4885MEN1 4004/4885
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 37/4885MEN1 4870/4885

“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.