SCHEMBL17035554

SCHEMBL17035554

CCCCNc1nc(C)ncc1CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TLR8 Q9NR97 12/20 0.43
TLR7 Q9NYK1 5/20 0.43
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CRHR1 P34998 1/20 0.39
POLB P06746 1/20 0.38
HCAR3 P49019 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
SCHEMBL23472619 0.84 CRHR1 (0.37) L3MBTL1TLR8TLR7CYP3A4KDM4E
SCHEMBL23472140 0.83 TLR8 (0.44) L3MBTL1TLR8TLR7CYP3A4KDM4E
SCHEMBL17035543 0.82 L3MBTL1 (0.63) L3MBTL1TLR8TLR7
SCHEMBL23472583 0.81 TLR8 (0.42) L3MBTL1TLR8TLR7CYP3A4KDM4E
SCHEMBL17035558 0.80 TLR8 (0.54) L3MBTL1TLR8TLR7KDM4ENPSR1
SCHEMBL20219757 0.79 TLR7 (0.39) L3MBTL1TLR8TLR7CYP3A4CYP1A2
SCHEMBL27631266 0.78 TLR8 (0.43) L3MBTL1TLR8TLR7CYP3A4NPSR1
SCHEMBL17693710 0.77 ELANE (0.37) L3MBTL1TLR8TLR7CYP3A4KDM4E
SCHEMBL17693696 0.77 TLR7 (0.39) L3MBTL1TLR8TLR7CYP3A4KDM4E
SCHEMBL17693694 0.77 ALDH1A1 (0.37) L3MBTL1TLR8TLR7CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284304-B2 Substituted pyrimidines as toll-like receptor modulators JANSSEN SCIENCES IRELAND UC (IE) 2016-03-15 US disclosed
US-20150239872-A1 ALKYLPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-08-27 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-20150239872-A1 ALKYLPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES DPYD, TYMP, PNP L3MBTL1 2052/4885TLR8 842/4885TLR7 437/4885

“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.