SCHEMBL4108263

SCHEMBL4108263

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(OCCO)cc3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.40
MPO P05164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GHSR Q92847 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NOS1 P29475 1/20 0.37
LTA4H P09960 1/20 0.37
XDH P47989 2/20 0.36
CHEK2 O96017 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4102085 0.86 NPC1 (0.44) DHFRMPOTLR8TLR7NOS1
SCHEMBL4107119 0.85 NOS1 (0.48) DHFRMPOALDH1A1ADORA2AADORA1
SCHEMBL4106793 0.85 MPO (0.44) DHFRMPOADORA2AADORA1TLR8
SCHEMBL4103587 0.85 GHSR (0.41) DHFRMPOALDH1A1ADORA2AGHSR
SCHEMBL4113790 0.84 MPO (0.48) DHFRMPOADORA2AADORA1TLR8
SCHEMBL4107746 0.83 ADORA2A (0.42) DHFRALDH1A1RECQLMAPTADORA2A
SCHEMBL4107317 0.82 MAP4K4 (0.41) DHFRMPOALDH1A1MAPTADORA2A
SCHEMBL4102183 0.82 KDM4E (0.47) ALDH1A1MAPTLTA4HGAA
SCHEMBL4105773 0.82 DHFR (0.43) DHFRALDH1A1MAPTXDHCHEK2
SCHEMBL4105813 0.81 MPO (0.45) DHFRMPOADORA2AADORA1TLR8

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 DHFR 145/4885MPO 2952/4885ALDH1A1 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.