SCHEMBL4097223

SCHEMBL4097223

Cc1ccc(C=O)c(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
DHFR P00374 7/20 0.37
APP P05067 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
HSP90AA1 P07900 1/20 0.34
ADORA2A P29274 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4097614 0.89 MPO (0.41) MPODHFRAPPALDH1A1SMN1; SMN2
SCHEMBL4110107 0.87 MPO (0.44) MPODHFRTLR8TLR7
SCHEMBL4103486 0.86 MPO (0.41) MPODHFRAPPALDH1A1SMN1; SMN2
SCHEMBL4097651 0.86 DHFR (0.41) MPODHFRAPPLMNAALDH1A1
SCHEMBL4110147 0.85 HSP90AA1 (0.39) MPODHFRAPPTLR8TLR7
SCHEMBL4095432 0.84 DHFR (0.35) DHFRALDH1A1TLR8TLR7
SCHEMBL4102290 0.82 ADORA2A (0.44) DHFRLMNAALDH1A1HPGDHSP90AA1
SCHEMBL4102045 0.80 MPO (0.41) MPODHFRALDH1A1HPGDTLR8
SCHEMBL4107705 0.80 MPO (0.41) MPODHFRTLR8TLR7
SCHEMBL4097594 0.79 MPO (0.43) MPODHFRAPPTLR8TLR7

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
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 MPO 2952/4885DHFR 145/4885APP 2339/4885

“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.