SCHEMBL3679044

SCHEMBL3679044

OCCNc1nc(-c2scc3ccccc23)c2sccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.62
ADORA1 P30542 7/20 0.62
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.41
ADORA2B P29275 2/20 0.41
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
POLB P06746 1/20 0.38

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 0.77 ADORA2A (1.00) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3674035 0.76 ADORA2A (0.68) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3679049 0.76 ADORA2A (0.67) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3681316 0.75 ADORA2A (0.55) ADORA2AADORA1ALDH1A1KDM4ERAB9A
SCHEMBL3676304 0.74 ADORA2A (1.00) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3684065 0.74 ADORA2A (1.00) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3677622 0.72 ADORA2A (0.65) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3681619 0.72 ADORA2A (0.58) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3677556 0.71 ADORA2A (0.68) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL3684100 0.71 ADORA2A (0.67) ADORA2AADORA1ALDH1A1KDM4EHPGD

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 15/4885ALDH1A1 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.