SCHEMBL4459534

SCHEMBL4459534

Nc1nc(-c2ccco2)c2cn[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 15/20 1.00
ADORA3 P0DMS8 2/20 0.54
ADORA2B P29275 2/20 0.54
DHFR P00374 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
PTPN7 P35236 1/20 0.44
BRCA1 P38398 1/20 0.44

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
SCHEMBL13668449 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL29051638 0.75 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL30514650 0.75 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL30162646 0.75 ADORA2A (0.60) ADORA2AADORA1ADORA3DHFRKDM4E
SCHEMBL13322063 0.73 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4044550 0.72 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL1553903 0.71 ADORA2A (0.60) ADORA2AADORA1ADORA2BDHFRKDM4E
SCHEMBL3587423 0.71 ADORA2A (0.55) ADORA2AADORA1DHFRALDH1A1HSD17B10
SCHEMBL2910353 0.71 ADORA2A (0.55) ADORA2AADORA1ADORA2BDHFRKDM4E
SCHEMBL6948083 0.71 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2BDHFR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629349-B2 Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-12-08 US claimed
US-7087754-B2 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-08 US claimed
US-20060111373-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2006-05-25 US claimed
CN-116589464-A Pyrimidine ring compound, preparation method and application thereof 上海科技大学 2023-08-15 CN disclosed
WO-2019086074-A1 4-(FURAN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE DERIVATIVE AND USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2019-05-09 WO disclosed
US-7629349-B2 Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-12-08 US disclosed
US-7629349-B2 Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-12-08 US disclosed
US-7629349-B2 Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-12-08 US disclosed
EP-1349552-B1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP disclosed
US-7087754-B2 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-08 US disclosed
US-20060111373-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2006-05-25 US disclosed
US-20040116447-A1 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-06-17 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 (1 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-20060111373-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS CHRNA6, CHRNA5, CNR1 ADORA2A 6/4885ADORA1 15/4885ADORA3 7/4885

“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.