SCHEMBL4101899

SCHEMBL4101899

CCCc1nc(N)nc2ccc(-c3ccccc3S(N)(=O)=O)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
DHFR P00374 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
F10 P00742 2/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL4106957 0.84 MPO (0.41) ALOX5APFEN1DHFRTRPV1F10
SCHEMBL4102757 0.82 PDE5A (0.48) ALOX5APFEN1DHFRTRPV1TLR8
SCHEMBL4105834 0.81 DHFR (0.34) DHFRTLR8TLR7HEXAHEXB
SCHEMBL4102859 0.80 CHRNA7 (0.40) DHFRTLR8TLR7HEXAHEXB
SCHEMBL4097695 0.80 TLR8 (0.41) DHFRTLR8
SCHEMBL4101903 0.79 CA2 (0.45) HEXAHEXBCA12CA1CA2
SCHEMBL4096296 0.79 DHFR (0.36) DHFRTLR8TLR7
SCHEMBL4115509 0.78 PTPN1 (0.48) F2
SCHEMBL4097702 0.78 TLR8 (0.42) DHFRTLR8TLR7
SCHEMBL4095764 0.77 MEN1 (0.40) DHFRTLR8TLR7HEXAHEXB

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 ALOX5AP 379/4885FEN1 1431/4885DHFR 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.