SCHEMBL4101889

SCHEMBL4101889

Nc1nc(Cc2ccccc2)c2nc(-c3cc(CO)ccc3Cl)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
ABL1 P00519 1/20 0.37
DHFR P00374 6/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADCY10 Q96PN6 2/20 0.36
MAP4K4 O95819 1/20 0.36
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
HTR1A P08908 1/20 0.33
GPR68 Q15743 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL4114237 0.83 MAP4K4 (0.41) ABL1DHFRPDE2APDE10AMAP4K4
SCHEMBL4107330 0.83 PDE2A (0.39) DHFRPDE2APDE10AMAP4K4TLR8
SCHEMBL4110095 0.82 MAP4K4 (0.46) MPODHFRMAP4K4HTR1AGPR68
SCHEMBL4106793 0.82 MPO (0.44) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4097721 0.79 MAP4K4 (0.43) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4097752 0.77 MPO (0.42) MPODHFRADCY10MAP4K4TLR8
SCHEMBL4114713 0.75 MPO (0.43) MPODHFRADCY10MAP4K4TLR8
SCHEMBL4107954 0.75 MPO (0.47) MPODHFRMAP4K4TLR8TLR7
SCHEMBL4110107 0.75 MPO (0.44) MPODHFRTLR8TLR7
SCHEMBL4115070 0.74 MPO (0.51) MPODHFRADCY10TLR8TLR7

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 MPO 2952/4885ABL1 766/4885DHFR 145/4885

“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.