SCHEMBL3684065

SCHEMBL3684065

OCCNc1nc(-c2ccco2)c2sccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 1.00
ADORA1 P30542 12/20 1.00
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.40
HSPD1 P10809 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL3680058 0.88 ADORA2A (0.78) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3674800 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL3679835 0.85 ADORA2A (1.00) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3681700 0.85 ADORA2A (0.73) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3673816 0.85 ADORA2A (0.73) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL3674150 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA2B
SCHEMBL3683007 0.83 ADORA2A (0.74) ADORA2AADORA1KMT2AALDH1A1KDM4E
SCHEMBL13257891 0.82 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL3677144 0.82 ADORA2A (0.69) ADORA2AADORA1ALDH1A1POLBMAPT
SCHEMBL3675883 0.82 ADORA2A (0.72) ADORA2AADORA1KMT2AALDH1A1KDM4E

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 15/4885KMT2A 1072/4885
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 37/4885KMT2A 3114/4885

“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.