SCHEMBL4533809

SCHEMBL4533809

CC(=O)Nc1nc(NCc2ccccc2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.59
APP P05067 3/20 0.59
CTNNB1 P35222 10/20 0.46
TCF7L2 Q9NQB0 10/20 0.46
PIK3CA P42336 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE5A O76074 2/20 0.41

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
SCHEMBL4537447 0.86 ADORA3 (0.45) ACHEAPPCTNNB1TCF7L2PIK3CA
SCHEMBL3934069 0.84 MKNK2 (0.49) ACHEAPPPIK3CAMEN1ALDH1A1
SCHEMBL4566109 0.83 ADORA3 (0.40) ACHEAPPPIK3CAMEN1ALDH1A1
SCHEMBL4525792 0.82 ACHE (0.40) ACHEMEN1ALDH1A1LMNAGAA
SCHEMBL4565682 0.82 TLR8 (0.45) ACHEAPPCTNNB1TCF7L2MEN1
SCHEMBL8252450 0.81 ACHE (0.39) ACHEAPPPIK3CARAB9ASMN1; SMN2
SCHEMBL4573891 0.80 APP (0.50) ACHEAPPALDH1A1LMNAMAPT
SCHEMBL4526021 0.80 MAP4K4 (0.45) PIK3CAMEN1ALDH1A1GAARAB9A
SCHEMBL4534770 0.79 TLR8 (0.39) ACHEAPPPIK3CARAB9ASMN1; SMN2
SCHEMBL5121413 0.78 MAP4K4 (0.47) ACHEAPPCTNNB1TCF7L2MAPT

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 2 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 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

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 ACHE 4292/4885APP 4145/4885CTNNB1 1163/4885

“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.