SCHEMBL4097594

SCHEMBL4097594

Cc1ccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
DHFR P00374 7/20 0.38
APP P05067 1/20 0.36
ADORA2A P29274 2/20 0.35
LTB4R Q15722 1/20 0.35

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
SCHEMBL4097661 0.81 CCR1 (0.42) CCR1CCR5CCR8HDAC6TLR8
SCHEMBL4103486 0.81 MPO (0.41) MPOTLR8TLR7DHFRAPP
SCHEMBL4097614 0.81 MPO (0.41) MPOTLR8TLR7DHFRAPP
SCHEMBL4103447 0.81 MPO (0.41) MPOTLR8TLR7DHFRAPP
SCHEMBL4102200 0.81 MPO (0.43) MPOTLR8TLR7DHFRAPP
SCHEMBL4097223 0.79 MPO (0.40) MPOTLR8TLR7DHFRAPP
SCHEMBL4113786 0.79 MPO (0.44) MPOTLR8TLR7DHFRLTB4R
SCHEMBL4103467 0.79 MPO (0.41) MPOTLR8TLR7DHFRADORA2A
SCHEMBL4106845 0.79 ADORA2A (0.49) CCR1CCR5CCR8HDAC6ADORA2A
SCHEMBL4113790 0.78 MPO (0.48) MPOTLR8TLR7DHFRADORA2A

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 2952/4885CCR1 453/4885CCR5 198/4885

“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.