SCHEMBL4573314

SCHEMBL4573314

CCCC(C)Nc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
IDH1 O75874 1/20 0.35
NPR1 P16066 1/20 0.34
TRPV3 Q8NET8 4/20 0.34
MAP4K4 O95819 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
MAPK14 Q16539 4/20 0.32
GAK O14976 1/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 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
SCHEMBL5121636 0.83 MAPK14 (0.43) MAP4K4MAPK14MAPK13MAPK12MAPK11
SCHEMBL14131740 0.83 MAPK14 (0.43) MAP4K4MAPK14MAPK13MAPK12MAPK11
SCHEMBL4573310 0.83 MAP4K4 (0.36) TLR8TLR7TRPV3MAP4K4MAPK14
SCHEMBL4573181 0.82 MERTK (0.37) TLR8TLR7MAP4K4KCNH3MAPK14
SCHEMBL4573278 0.82 MAP4K4 (0.42) MAP4K4ALDH1A1HPGDCYP3A4TSHR
SCHEMBL5112172 0.81 MAPT (0.35) MAP4K4ALDH1A1KDM4EGAKMAPK13
SCHEMBL5123850 0.80 MAPT (0.43) ALDH1A1HPGDKDM4EHSD17B10KCNH3
SCHEMBL5123059 0.77 KCNH3 (0.46) MAP4K4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4573442 0.77 TP53 (0.47) ALDH1A1KDM4ETSHRHSD17B10KCNH3
SCHEMBL5115353 0.77 MAP4K4 (0.40) MAP4K4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP TLR8 2289/4885TLR7 964/4885IDH1 349/4885

“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.