SCHEMBL4517525

SCHEMBL4517525

COCCOc1nc(NC(C)=O)nc2ccc(Cl)nc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
PIK3CA P42336 3/20 0.36
GRM4 Q14833 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 3/20 0.34
APP P05067 2/20 0.34
IAPP P10997 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
MAPK1 P28482 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
SCHEMBL4113077 0.89 MAPK8 (0.39) CYP1A2ALDH1A1MEN1KMT2AADORA3
SCHEMBL4524357 0.88 TDP1 (0.39) CYP1A2GRM4ALDH1A1MEN1KMT2A
SCHEMBL4114488 0.88 MAPK8 (0.40) CYP1A2ALDH1A1MEN1KMT2ATSHR
SCHEMBL4108612 0.87 MAPK8 (0.37) CYP1A2MEN1MAPTKMT2AADORA3
SCHEMBL4119354 0.86 MAPK8 (0.40) CYP1A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL4114159 0.83 PRKD3 (0.40) CYP1A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL3598709 0.83 MEN1 (0.36) CYP1A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL3607971 0.83 MEN1 (0.36) CYP1A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL4102997 0.81 ACHE (0.45) CYP1A2PIK3CAMEN1KMT2AADORA3
SCHEMBL3607975 0.79 CYP1A2 (0.35) CYP1A2ALDH1A1MEN1MAPTKMT2A

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 CYP1A2 159/4885PIK3CA 609/4885GRM4 4199/4885

“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.