SCHEMBL3682801

SCHEMBL3682801

CN(C)c1nc(-c2ccco2)c2scc(NC(=O)c3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
ADORA2A P29274 11/20 0.48
ADORA1 P30542 8/20 0.48
PDPK1 O15530 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC2 Q92769 1/20 0.42
ADORA3 P0DMS8 6/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL3676365 0.88 ADORA2A (0.52) KMT2AMEN1ALDH1A1HSD17B10NPC1
SCHEMBL3677098 0.87 ADORA3 (0.51) KMT2AMEN1ALDH1A1HSD17B10NPC1
SCHEMBL3677616 0.76 ADORA2A (0.61) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL3676034 0.76 ADORA2A (0.61) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL3676192 0.76 ADORA2A (0.61) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL3674966 0.75 ADORA2A (0.60) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL3675006 0.72 ADORA2A (0.54) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL1256441 0.68 KMT2A (0.63) KMT2AMEN1ALDH1A1HSD17B10NPC1
SCHEMBL3675033 0.66 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1255496 0.66 L3MBTL1 (0.75) KMT2AMEN1ALDH1A1HSD17B10NPC1

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 KMT2A 1072/4885MEN1 4004/4885ALDH1A1 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 KMT2A 3114/4885MEN1 4870/4885ALDH1A1 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.