SCHEMBL3146728

SCHEMBL3146728

Nc1nc(C(Cl)(Cl)Cl)nc2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.62
ADORA1 P30542 5/20 0.62
TMIGD3 P0DMS9 3/20 0.48
ADORA2B P29275 3/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TLR7 Q9NYK1 11/20 0.43
PNP P00491 1/20 0.40

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
SCHEMBL20343824 0.90 ADORA2A (0.60) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7206049 0.83 ADORA2A (0.68) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL2913215 0.82 ADORA2A (0.67) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5732024 0.81 ADORA2A (0.65) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210349 0.79 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7208425 0.78 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7205701 0.78 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7211527 0.78 ADORA2A (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7204696 0.78 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL7210266 0.78 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-11-28 US disclosed
US-10280167-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2776439-B1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-04 EP disclosed
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-05 US disclosed
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-05 US disclosed
US-9556176-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 US disclosed
US-9556176-B2 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-01-31 US disclosed
US-20140323441-A1 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-10-30 US disclosed
US-20140323441-A1 Purine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-10-30 US disclosed
WO-2013068438-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2013-05-16 WO disclosed
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed
US-7642350-B2 Purine derivatives PFIZER LIMITED (GB) 2010-01-05 US disclosed
CN-101203519-A 2-amido-6-amino-8-oxopurine derivatives as Toll-like receptor modulators for the treatment of cancer and viral infections such as hepatitis c PFIZER LTD (GB) 2008-06-18 CN disclosed
EP-1888587-A1 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C Pfizer Limited (GB) 2008-02-20 EP disclosed
US-20060264448-A1 Purine derivatives PFIZER LIMITED 2006-11-23 US disclosed
WO-2006117670-A1 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C PFIZER LIMITED (GB) 2006-11-09 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 (5 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-10280167-B2 Purine derivatives for the treatment of viral infections PNP, ADA, HPRT1 ADORA2A 14/4885ADORA1 37/4885TMIGD3 2446/4885
US-20140323441-A1 Purine derivatives for the treatment of viral infections PNP, HPRT1, TYMP ADORA2A 17/4885ADORA1 28/4885TMIGD3 2946/4885
US-20060264448-A1 Purine derivatives TLR9, TLR7, TLR1 ADORA2A 7/4885ADORA1 9/4885TMIGD3 1167/4885
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 ADORA2A 14/4885ADORA1 37/4885TMIGD3 2446/4885
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 ADORA2A 14/4885ADORA1 37/4885TMIGD3 2446/4885

“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.