SCHEMBL17123643

SCHEMBL17123643

CCCCNc1nc(NC(C)=O)ncc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
TLR8 Q9NR97 4/20 0.51
TLR7 Q9NYK1 3/20 0.51
BRD4 O60885 4/20 0.48
ACHE P22303 2/20 0.47
HDAC3 O15379 2/20 0.46
PPIA P62937 1/20 0.44
CASP6 P55212 1/20 0.44
CYP3A4 P08684 1/20 0.43
APP P05067 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL20386594 0.96 CYP1A2 (0.48) CYP1A2CYP2D6TLR8TLR7BRD4
SCHEMBL20386612 0.91 BRD4 (0.51) CYP1A2CYP2D6TLR8TLR7BRD4
SCHEMBL21920109 0.83 BRD4 (0.44) CYP1A2CYP2D6TLR8TLR7BRD4
SCHEMBL15469718 0.82 TLR8 (0.46) TLR8TLR7BRD4PPIACYP11B1
SCHEMBL13195085 0.82 TLR8 (0.50) CYP1A2CYP2D6TLR8TLR7BRD4
SCHEMBL13195033 0.82 TLR8 (0.67) CYP1A2CYP2D6TLR8TLR7CYP3A4
SCHEMBL15469717 0.81 BRD4 (0.42) BRD4ACHEPPIAAPPCYP11B1
SCHEMBL13195028 0.81 KCNH2 (0.47) TLR8TLR7BRD4PPIA
SCHEMBL21769255 0.79 BRD4 (0.57) BRD4PPIACYP11B1CYP11B2ADORA3
SCHEMBL15469714 0.79 BRD4 (0.57) BRD4PPIACYP11B1CYP11B2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790191-B2 Substituted acylaminopyrimidines as inducers of alpha interferon production JANSSEN SCIENCES IRELAND UC (IE) 2017-10-17 US disclosed
US-9790191-B2 Substituted acylaminopyrimidines as inducers of alpha interferon production JANSSEN SCIENCES IRELAND UC (IE) 2017-10-17 US disclosed
US-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-10-01 US disclosed
US-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-10-01 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-20150274676-A1 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES DPYD, TYMP, ENTPD5 CYP1A2 1850/4885CYP2D6 481/4885TLR8 368/4885

“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.