SCHEMBL4044550

SCHEMBL4044550

Nc1nc(-c2ccco2)c2[nH]nnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.62
ADORA1 P30542 12/20 0.62
DHFR P00374 1/20 0.52
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 2/20 0.46
BLM P54132 2/20 0.46
CASP7 P55210 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL13322063 0.78 ADORA2A (0.61) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL27691725 0.76 ADORA2A (1.00) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL536641 0.75 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1553903 0.72 ADORA2A (0.60) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL977163 0.72 POLB (0.63) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL4459534 0.72 ADORA2A (1.00) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL4052354 0.72 DHFR (0.52) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL4047491 0.70 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL29947029 0.69 ADORA2A (0.54) ADORA2AADORA1DHFRMEN1ALDH1A1
SCHEMBL21572882 0.69 ADORA2A (0.54) ADORA2AADORA1DHFRMEN1ALDH1A1

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
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP claimed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US claimed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US claimed
US-7589097-B2 Triazol[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-09-15 US disclosed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-09-25 US disclosed
US-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 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 (3 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-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA2A 2/4885ADORA1 10/4885DHFR 916/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA2A 2/4885ADORA1 12/4885DHFR 659/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 ADORA2A 7/4885ADORA1 19/4885DHFR 854/4885

“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.