SCHEMBL4097644

SCHEMBL4097644

CCCc1nc(N)nc2ccc(-c3ccccc3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
GLA P06280 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
HIF1A Q16665 2/20 0.37
THRB P10828 1/20 0.37
ACHE P22303 1/20 0.37
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 3/20 0.32

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
SCHEMBL4101913 0.89 TLR8 (0.47) ALDH1A1TLR8TLR7HSP90AA1MEN1
SCHEMBL4102052 0.88 HSP90AA1 (0.50) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4108352 0.87 PTPN1 (0.38) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL4100948 0.81 CA12 (0.39) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL4102478 0.81 GRM6 (0.38) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL4112827 0.81 MAP4K4 (0.41) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL4842810 0.80 HSP90AA1 (0.42) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4101899 0.76 ALOX5AP (0.36) TLR8TLR7DHFR
SCHEMBL4106265 0.76 HSP90AA1 (0.55) KDM4EGLAALDH1A1GAAHPGD
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 KDM4E 2414/4885GLA 3902/4885ALDH1A1 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.