SCHEMBL4100948

SCHEMBL4100948

CCCc1nc(N)nc2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
DHFR P00374 3/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4112827 0.89 MAP4K4 (0.41) TLR8TLR7DHFRMAPTTHRB
SCHEMBL4109882 0.88 TLR8 (0.48) TLR8TLR7DHFRHSP90AA1MAPT
SCHEMBL4110201 0.87 HSP90AA1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL4112515 0.85 ABCG2 (0.39) CA12CA1CA2CA9CA14
SCHEMBL4097666 0.84 TLR8 (0.43) TLR8TLR7DHFRHEXAHEXB
SCHEMBL4103588 0.81 DHFR (0.41) DHFRHEXAHEXBSMN1; SMN2NPC1
SCHEMBL4097644 0.81 KDM4E (0.37) TLR8TLR7DHFRHSP90AA1MAPT
SCHEMBL4102240 0.81 DHFR (0.41) CA12CA1CA2CA9CA14
SCHEMBL4097684 0.80 ROCK2 (0.39) TLR8HSP90AA1MAPTTHRBKDM4E
SCHEMBL4110194 0.80 ABCG2 (0.44) CA12CA1CA2CA9CA14

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 CA12 4830/4885CA1 4831/4885CA2 4093/4885

“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.