SCHEMBL4095783

SCHEMBL4095783

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(C(=O)c4ccccc4)cc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.41
DHFR P00374 6/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.38
FABP6 P51161 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAOB P27338 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL4106206 0.99 MPO (0.41) MPODHFRCHEK2ABL1FABP6
SCHEMBL4102787 0.91 PLA2G10 (0.47) MPODHFRCHEK2MKNK2
SCHEMBL4108177 0.87 DHFR (0.50) DHFRMEN1KMT2AMKNK2
SCHEMBL4113790 0.86 MPO (0.48) MPODHFR
SCHEMBL4103588 0.85 DHFR (0.41) DHFRCHEK2ABL1FABP6MEN1
SCHEMBL4115064 0.85 RARA (0.47) DHFR
SCHEMBL4106793 0.84 MPO (0.44) MPODHFR
SCHEMBL4102240 0.84 DHFR (0.41) DHFRCHEK2ABL1FABP6MEN1
SCHEMBL4108365 0.84 MAP4K4 (0.44) MPODHFRCHEK2
SCHEMBL4112515 0.84 ABCG2 (0.39) MPODHFRMEN1KMT2AMKNK2

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 4 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

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 2952/4885DHFR 145/4885CHEK2 2583/4885

“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.