SCHEMBL4530985

SCHEMBL4530985

CCOc1nc(N)nc2ccc(-c3ccccc3OCc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.46
BRD4 O60885 3/20 0.46
TLR4 O00206 1/20 0.45
TLR3 O15455 1/20 0.45
TLR5 O60602 1/20 0.45
TLR2 O60603 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45
CAMK1 Q14012 1/20 0.45
CAMK4 Q16566 1/20 0.45
PNCK Q6P2M8 1/20 0.45
CAMK1D Q8IU85 1/20 0.45
CAMK1G Q96NX5 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45
MGMT P16455 2/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL4512860 0.91 DHFR (0.50) TLR8DHFR
SCHEMBL4536401 0.86 HSP90AA1 (0.47) TLR8DHFRHTT
SCHEMBL4107331 0.83 TLR4 (0.47) DCPSBRD4TLR4TLR3TLR5
SCHEMBL3766518 0.83 MGMT (0.47) DCPSBRD4TLR4TLR3TLR5
SCHEMBL4511575 0.82 XDH (0.46) MGMTMPOTPOCYP3A4EPX
SCHEMBL4107496 0.82 DCPS (0.48) DCPSBRD4TLR4TLR3TLR5
SCHEMBL4108287 0.82 DCPS (0.48) DCPSBRD4TLR4TLR3TLR5
SCHEMBL4534714 0.81 ADORA2A (0.42) TLR8MPODHFRCDK1CCNB1
SCHEMBL4113986 0.81 MPO (0.48) DCPSMGMTMPOTPOCYP3A4
SCHEMBL4522776 0.80 L3MBTL1 (0.54) TLR8MPODHFR

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed

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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO DCPS 257/4885BRD4 2153/4885TLR4 2773/4885

“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.