SCHEMBL4366004

SCHEMBL4366004

Nc1nc(-c2ccco2)c2ccn(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 14/20 1.00
ADORA3 P0DMS8 6/20 0.62
ADORA2B P29275 6/20 0.62

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
SCHEMBL4370979 0.87 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4369863 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3269399 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4450557 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4046576 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21704378 0.75 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29051635 0.75 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4377440 0.75 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21704345 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL30177154 0.74 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US claimed
EP-1363639-B1 PYRROLO 2,3-d PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP claimed
US-7098333-B2 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-29 US claimed
US-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-06-15 US claimed
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-13 US claimed
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
EP-1363639-B1 PYRROLO 2,3-d PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP disclosed
US-7098333-B2 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-29 US disclosed
US-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-06-15 US disclosed
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-13 US disclosed
EP-1363639-A1 PYRROLO 2,3-d]PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-11-26 EP disclosed
WO-2002055084-A1 PYRROLO[2,3-d]PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO 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-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists CHRNA6, CNR1, ADORA2A ADORA2A 3/4885ADORA1 11/4885ADORA3 7/4885
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists CNR1, CNR2, CHRNA6 ADORA2A 7/4885ADORA1 18/4885ADORA3 16/4885

“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.