SCHEMBL4101754

SCHEMBL4101754

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(Cl)nc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
MAP4K4 O95819 1/20 0.40
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
DHFR P00374 5/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CD O00329 1/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
ADCY10 Q96PN6 1/20 0.34
NOS1 P29475 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP2A6 P11509 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
SCHEMBL4097013 0.88 MPO (0.43) MPOMAP4K4NPC1RAB9ADHFR
SCHEMBL4109860 0.87 MPO (0.42) MPOMAP4K4DHFRPIK3CAMTOR
SCHEMBL4097181 0.86 MPO (0.41) MPOMAP4K4DHFRPIK3CAMTOR
SCHEMBL4108245 0.86 MPO (0.41) MPOMAP4K4DHFRPIK3CAMTOR
SCHEMBL4113790 0.84 MPO (0.48) MPOMAP4K4DHFRTLR8TLR7
SCHEMBL4102317 0.83 LOXL2 (0.41) MPOMAP4K4DHFRPIK3CAMTOR
SCHEMBL4100777 0.83 PIK3CA (0.51) MPOPIK3CAMTORPIK3CDTLR8
SCHEMBL4108350 0.83 MAP4K4 (0.44) MPOMAP4K4KDM4EDHFRTLR8
SCHEMBL4102838 0.82 MAP4K4 (0.40) MPOMAP4K4DHFRTLR8TLR7
SCHEMBL4115070 0.82 MPO (0.51) MPOALDH1A1DHFRTLR8TLR7

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 3 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

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 MPO 2952/4885MAP4K4 2166/4885KDM4E 2414/4885

“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.