SCHEMBL4112229

SCHEMBL4112229

CCCc1nc(N)nc2ccc(-c3cncc4ccccc34)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 1/20 0.36
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 2/20 0.35
APP P05067 1/20 0.34
ATM Q13315 1/20 0.34
PGK1 P00558 1/20 0.34
DHFR P00374 3/20 0.33
ADORA2A P29274 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL4097695 0.87 TLR8 (0.41) APPATMDHFRADORA2ATLR8
SCHEMBL4114248 0.84 MPO (0.41) PRKCZCNR1CNR2CYP11B2CYP11B1
SCHEMBL4102879 0.78 SSTR3 (0.38) CYP11B2CYP11B1APPPGK1DHFR
SCHEMBL4113377 0.77 ADORA2A (0.49) PRKCZCYP11B2CYP11B1ADORA2A
SCHEMBL4102859 0.77 CHRNA7 (0.40) APPDHFRTLR8TLR7
SCHEMBL4103188 0.76 PDE10A (0.36) APPDHFRTLR8TLR7
SCHEMBL4105834 0.76 DHFR (0.34) DHFRTLR8TLR7
SCHEMBL4096296 0.76 DHFR (0.36) DHFRTLR8TLR7
SCHEMBL4106980 0.76 TLR8 (0.37) CNR1CNR2APPATMDHFR
SCHEMBL4107650 0.75 HTR2A (0.43) CNR2HTR2CDHFRTLR8TLR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 PRKCZ 2857/4885CNR1 767/4885CNR2 524/4885

“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.