SCHEMBL17035547

SCHEMBL17035547

CCCCNc1nc(N)ncc1CCc1ccc(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.52
NTRK2 Q16620 1/20 0.52
TLR7 Q9NYK1 9/20 0.48
TLR8 Q9NR97 4/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13195757 0.88 TLR7 (0.46) CSF1RNTRK2TLR7TLR8CYP2D6
SCHEMBL17035555 0.88 FLT3 (0.43) CSF1RNTRK2TLR7TLR8CYP2D6
SCHEMBL17035548 0.86 TLR7 (0.64) TLR7TLR8CYP2D6CYP2C9CYP1A2
SCHEMBL23472185 0.86 TLR7 (0.59) TLR7TLR8CYP2D6CYP2C9
SCHEMBL20219412 0.84 TLR7 (0.46) TLR7TLR8CYP2D6CYP2C9CYP1A2
SCHEMBL23472375 0.82 L3MBTL1 (0.46) TLR7TLR8L3MBTL1
SCHEMBL23472150 0.81 DHFR (0.51) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL20219619 0.81 TLR7 (0.55) TLR7TLR8
SCHEMBL20219638 0.80 TLR7 (0.41) TLR7TLR8CYP1A2
SCHEMBL15470061 0.80 TLR7 (0.48) TLR7TLR8CYP1A2

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 3 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
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 CSF1R 3967/4885NTRK2 4565/4885TLR7 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.