SCHEMBL3676352

SCHEMBL3676352

O=C(NCCNc1nc(-c2ccco2)c2sccc2n1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.67
ADORA1 P30542 13/20 0.67
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
ADORA2B P29275 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3679856 0.87 ADORA2A (0.69) ADORA2AADORA1ALDH1A1RAB9APKM
SCHEMBL3674800 0.87 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL3674150 0.86 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL13257891 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL3673268 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL3680060 0.82 ADORA2A (0.64) ADORA2AADORA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3681333 0.82 ADORA2A (0.66) ADORA2AADORA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3684512 0.82 ADORA2A (0.66) ADORA2AADORA1ALDH1A1HPGDHTT
SCHEMBL6859817 0.81 ADORA2A (0.78) ADORA2AADORA1ADORA2B
SCHEMBL3684065 0.81 ADORA2A (1.00) ADORA2AADORA1ALDH1A1HPGDADORA2B

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 15/4885ALDH1A1 1375/4885
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 37/4885ALDH1A1 1678/4885

“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.