SCHEMBL14944751

SCHEMBL14944751

Nc1nc(-c2ncc[nH]2)nc2c1[nH]c(=O)n2Cc1ccc2c(c1)CNCC2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.41
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38

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
SCHEMBL14944679 0.83 TLR7 (0.38) TLR7HSP90B1TRAP1
SCHEMBL14944584 0.80 TLR7 (0.61) TLR7
SCHEMBL20343743 0.80 TLR7 (0.39) TLR7HSP90B1TRAP1
SCHEMBL20343817 0.79 TLR7 (0.52) TLR7
SCHEMBL14944750 0.79 TLR7 (0.47) TLR7
SCHEMBL14944620 0.78 TLR7 (0.59) TLR7
SCHEMBL14944716 0.75 TLR7 (0.50) TLR7
SCHEMBL20343755 0.73 TLR7 (0.49) TLR7
SCHEMBL14944630 0.73 USP28 (0.32)
SCHEMBL16206186 0.72 TLR7 (0.49) TLR7

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 6 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TLR7 295/4885HSP90B1 2334/4885TRAP1 2109/4885
US-20140323441-A1 Purine derivatives for the treatment of viral infections PNP, HPRT1, TYMP TLR7 217/4885HSP90B1 2241/4885TRAP1 2445/4885
US-20170283419-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 TLR7 295/4885HSP90B1 2334/4885TRAP1 2109/4885
US-20190359614-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, ADA, HPRT1 TLR7 295/4885HSP90B1 2334/4885TRAP1 2109/4885

“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.