SCHEMBL4108352

SCHEMBL4108352

CC(C)(C)OC(=O)c1ccccc1-c1ccc2nc(N)nc(Cc3ccccc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 2/20 0.37
HIF1A Q16665 2/20 0.37
THRB P10828 1/20 0.37
MPO P05164 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
DHFR P00374 4/20 0.35
ACHE P22303 1/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 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
SCHEMBL4105031 0.89 TLR8 (0.43) PTPN1MAPTMPOTLR8TLR7
SCHEMBL4097644 0.87 KDM4E (0.37) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL4107871 0.87 ALDH1A1 (0.42) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL4112515 0.84 ABCG2 (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4102478 0.82 GRM6 (0.38) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL4097508 0.82 SLC7A5 (0.43) TLR8TLR7DHFRMAOA
SCHEMBL4096208 0.78 HSP90AA1 (0.53) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4101365 0.77 ROCK2 (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4110107 0.76 MPO (0.44) MPOTLR8TLR7DHFR
SCHEMBL4106957 0.76 MPO (0.41) MPOTLR8TLR7DHFR

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 PTPN1 924/4885KDM4E 2414/4885ALDH1A1 1721/4885

“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.