SCHEMBL4107331

SCHEMBL4107331

CCCc1nc(N)nc2ccc(-c3ccccc3OCc3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR3 O15455 1/20 0.47
TLR5 O60602 1/20 0.47
TLR2 O60603 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
CAMK1 Q14012 1/20 0.47
CAMK4 Q16566 1/20 0.47
PNCK Q6P2M8 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
CAMK1G Q96NX5 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
DCPS Q96C86 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
BRD4 O60885 4/20 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
SCHEMBL4108287 0.88 DCPS (0.48) TLR4TLR3TLR5TLR2CAMK2B
SCHEMBL4102014 0.84 MAOB (0.44) CAMK2BCAMK2GCAMK2DDHFR
SCHEMBL4530985 0.83 DCPS (0.46) TLR4TLR3TLR5TLR2CAMK2B
SCHEMBL4108390 0.82 PDE4A (0.46) DCPSCYP1A2CYP2D6DHFRSMN1; SMN2
SCHEMBL4107496 0.81 DCPS (0.48) TLR4TLR3TLR5TLR2CAMK2B
SCHEMBL4112530 0.80 PIK3CA (0.40) TLR8TLR7DCPSCYP1A2CYP2D6
SCHEMBL4097586 0.79 ALOX5 (0.42)
SCHEMBL4097695 0.77 TLR8 (0.41) TLR8DHFR
SCHEMBL4102859 0.77 CHRNA7 (0.40) TLR8TLR7DHFR
SCHEMBL4105834 0.76 DHFR (0.34) TLR8TLR7DHFR

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD TLR4 915/4885TLR3 240/4885TLR5 408/4885

“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.