SCHEMBL4522932

SCHEMBL4522932

CC(=O)Nc1nc(N2CCNCC2)c2nc(-c3ccccc3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
ADORA1 P30542 2/20 0.47
PIK3CA P42336 3/20 0.42
PIK3R1 P27986 2/20 0.42
MTOR P42345 2/20 0.42
MKNK2 Q9HBH9 5/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPY5R Q15761 2/20 0.40
ADORA2B P29275 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4113869 0.90 MKNK2 (0.45) ADORA3PIK3CAMKNK2PIK3CDPIK3CG
SCHEMBL3918629 0.85 ABL1 (0.42) ADORA3PIK3CAMKNK2PIK3CDPIK3CG
SCHEMBL4121660 0.83 TGFBR1 (0.39) ADORA3PIK3CAMKNK2PIK3CDPIK3CG
SCHEMBL3930431 0.83 PDE4A (0.53) ADORA3PIK3CAMKNK2PIK3CDPIK3CG
SCHEMBL4102687 0.83 PDE4A (0.47) ADORA3PIK3CAMKNK2PIK3CDPIK3CG
SCHEMBL4537485 0.82 PIK3CA (0.39) PIK3CAPIK3R1MTORMKNK2PIK3CD
SCHEMBL3921933 0.81 PDE4A (0.49) ADORA3MKNK2MKNK1ALDH1A1EGFR
SCHEMBL3926934 0.79 DYRK1A (0.46) MTORALDH1A1CYP3A4IKBKBCHUK
SCHEMBL4108625 0.79 DYRK1A (0.39) PIK3CAMTORMKNK2PIK3CDPIK3CG
SCHEMBL8254289 0.79 IRAK4 (0.37) PIK3CAPIK3R1MTORPIK3CDPIK3CG

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 ADORA3 216/4885ADORA1 501/4885PIK3CA 609/4885

“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.