SCHEMBL4450557

SCHEMBL4450557

Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 20/20 1.00
ADORA3 P0DMS8 1/20 0.67
ADORA2B P29275 1/20 0.67

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
SCHEMBL4452012 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4452812 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4452784 0.87 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL4452773 0.85 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4452013 0.84 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL4459531 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4459074 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4366004 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4462301 0.81 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL4046576 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B

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 13 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
EP-1349552-B1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP 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
US-20040116447-A1 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-06-17 US claimed
US-20210137930-A1 EXPANSION OF TUMOR INFILTRATING LYMPHOCYTES (TILS) WITH ADENOSINE A2A RECEPTOR ANTAGONISTS AND THERAPEUTIC COMBINATIONS OF TILS AND ADENOSINE A2A RECEPTOR ANTAGONISTS IOVANCE BIOTHERAPEUTICS, INC. (US) 2021-05-13 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
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 (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-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
US-20210137930-A1 EXPANSION OF TUMOR INFILTRATING LYMPHOCYTES (TILS) WITH ADENOSINE A2A RECEPTOR ANTAGONISTS AND THERAPEUTIC COMBINATIONS OF TILS AND ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, CXCR5 ADORA2A 1/4885ADORA1 2/4885ADORA3 4/4885

“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.