SCHEMBL4537447

SCHEMBL4537447

CCNc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.45
ADORA2A P29274 3/20 0.45
MAP4K4 O95819 1/20 0.45
ACHE P22303 2/20 0.40
APP P05067 1/20 0.40
ADORA1 P30542 3/20 0.39
CTNNB1 P35222 2/20 0.38
TCF7L2 Q9NQB0 2/20 0.38
RAB9A P51151 2/20 0.38
PIK3CA P42336 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MTOR P42345 1/20 0.38
PGK1 P00558 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 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
SCHEMBL4565682 0.88 TLR8 (0.45) ADORA3ADORA2AACHEAPPCTNNB1
SCHEMBL4566109 0.88 ADORA3 (0.40) ADORA3ADORA2AMAP4K4ACHEAPP
SCHEMBL4533809 0.86 ACHE (0.59) ADORA3ACHEAPPADORA1CTNNB1
SCHEMBL4525792 0.86 ACHE (0.40) ADORA3ADORA2AACHERAB9ANPC1
SCHEMBL8252450 0.85 ACHE (0.39) ADORA3ADORA2AACHEAPPADORA1
SCHEMBL4526021 0.84 MAP4K4 (0.45) ADORA3ADORA2AMAP4K4ADORA1RAB9A
SCHEMBL4534770 0.84 TLR8 (0.39) ADORA3ADORA2AACHEAPPADORA1
SCHEMBL5121413 0.82 MAP4K4 (0.47) ADORA2AMAP4K4ACHEAPPCTNNB1
SCHEMBL3934069 0.82 MKNK2 (0.49) ADORA3ADORA2AACHEAPPADORA1
SCHEMBL11912932 0.82 ADORA3 (0.48) ADORA3ADORA2AADORA1RAB9APIK3CA

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-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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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 ADORA3 216/4885ADORA2A 252/4885MAP4K4 3289/4885

“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.