SCHEMBL3684480

SCHEMBL3684480

CCNc1nc(-c2cccs2)c2sccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 1.00
ADORA1 P30542 12/20 1.00
MEN1 O00255 5/20 0.48
USP2 O75604 5/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 5/20 0.48
CASP1 P29466 5/20 0.48
CASP7 P55210 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP2C9 P11712 4/20 0.48
HIF1A Q16665 4/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP3A4 P08684 4/20 0.48
ADORA2B P29275 1/20 0.46
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
BRCA1 P38398 2/20 0.44
HBB P68871 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3685396 0.84 ADORA2A (1.00) ADORA2AADORA1ALDH1A1CASP1CASP7
SCHEMBL3677642 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL3679835 0.77 ADORA2A (1.00) ADORA2AADORA1MEN1USP2ALDH1A1
SCHEMBL3671996 0.74 ADORA2A (0.61) ADORA2AADORA1ALDH1A1HSD17B10LMNA
SCHEMBL3682427 0.73 ADORA1 (1.00) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL2561122 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL3675171 0.72 ADORA2A (1.00) ADORA2AADORA1MEN1USP2ALDH1A1
SCHEMBL3685006 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL5458784 0.69 ADORA1 (0.71) ADORA2AADORA1MEN1USP2ALDH1A1
SCHEMBL3677556 0.65 ADORA2A (0.68) ADORA2AADORA1ALDH1A1CASP1CASP7

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 15/4885MEN1 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.