SCHEMBL4531023

SCHEMBL4531023

CCOCCOc1nc(N)nc2ccc(-c3cccc(F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 13/20 0.50
NCF1 P14598 4/20 0.40
ADORA2A P29274 1/20 0.39
MPO P05164 1/20 0.38
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL4122691 0.90 MAP4K4 (0.55) MAP4K4ADORA2AMPOTLR8
SCHEMBL4101395 0.89 MAP4K4 (0.52) MAP4K4ADORA2AMPOTLR8
SCHEMBL4515412 0.88 MAP4K4 (0.51) MAP4K4ADORA2AMPOTLR8
SCHEMBL3608749 0.87 NCF1 (0.38) MAP4K4NCF1ADORA2AMPOTLR8
SCHEMBL4121625 0.83 MAP4K4 (0.52) MAP4K4ADORA2AMPO
SCHEMBL4530356 0.81 ALDH1A1 (0.38) NCF1ADORA2AMPOTLR8
SCHEMBL4114510 0.81 MAP4K4 (0.52) MAP4K4ADORA2AMPO
SCHEMBL4113271 0.80 MAP4K4 (0.48) MAP4K4ADORA2ATLR8
SCHEMBL4537635 0.79 MAP4K4 (0.46) MAP4K4
SCHEMBL3614268 0.79 MPO (0.37) MAP4K4ADORA2AMPOTLR8

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MAP4K4 3289/4885NCF1 2974/4885ADORA2A 252/4885

“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.