SCHEMBL4097614

SCHEMBL4097614

Cc1ccc(N)c(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 2/20 0.37
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 4/20 0.37
DHFR P00374 6/20 0.36
ADORA2A P29274 1/20 0.34
PSMB5 P28074 1/20 0.34
ACHE P22303 1/20 0.34
SLC2A1 P11166 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
SCHEMBL4103486 0.91 MPO (0.41) MPOKDM4ENPC1ALDH1A1GAA
SCHEMBL4097223 0.89 MPO (0.40) MPOALDH1A1SMN1; SMN2APPTLR8
SCHEMBL4110147 0.87 HSP90AA1 (0.39) MPOKDM4ENPC1GAAMAPT
SCHEMBL4097721 0.86 MAP4K4 (0.43) MPOAPPTLR8TLR7DHFR
SCHEMBL4107993 0.82 DHFR (0.37) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL4107705 0.81 MPO (0.41) MPOKDM4EGAAMAPTTLR8
SCHEMBL4102045 0.81 MPO (0.41) MPOKDM4EALDH1A1GAAMAPT
SCHEMBL4102200 0.81 MPO (0.43) MPOKDM4EGAAMAPTAPP
SCHEMBL4097594 0.81 MPO (0.43) MPOAPPTLR8TLR7DHFR
SCHEMBL4108099 0.80 ADORA2A (0.47) KDM4ENPC1ALDH1A1GAAMAPT

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 MPO 2952/4885KDM4E 2414/4885NPC1 1907/4885

“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.