SCHEMBL4101484

SCHEMBL4101484

Cc1ccccc1Cc1nc(N)nc2ccc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
HTR6 P50406 1/20 0.38
KDR P35968 2/20 0.38
LTA4H P09960 1/20 0.36
MAP4K4 O95819 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
DHFR P00374 6/20 0.36
MPO P05164 1/20 0.36
AR P10275 1/20 0.35
FLT1 P17948 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL4103647 0.86 ADCY10 (0.41) HTR6MAP4K4MPOAR
SCHEMBL4113655 0.85 DHFR (0.37) TLR8TLR7KDRDHFRMPO
SCHEMBL4107793 0.84 TLR8 (0.46) TLR8TLR7HTR6MAP4K4DHFR
SCHEMBL4107735 0.83 DHFR (0.52) TLR8TLR7HTR6LTA4HDHFR
SCHEMBL4115070 0.80 MPO (0.51) TLR8TLR7DHFRMPO
SCHEMBL4106925 0.78 DHFR (0.47) TLR8TLR7HTR6LTA4HHEXA
SCHEMBL4107022 0.78 LTA4H (0.43) TLR8TLR7HTR6KDRLTA4H
SCHEMBL4106480 0.76 TLR8 (0.48) TLR8TLR7HTR6LTA4HHEXA
SCHEMBL4102554 0.76 DHFR (0.44) HEXAHEXBDHFR
SCHEMBL4096477 0.74 HSP90AB1 (0.50) HTR6HEXAHEXBDHFRMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TLR8 936/4885TLR7 503/4885HTR6 574/4885

“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.