SCHEMBL4524713

SCHEMBL4524713

CC(=O)Nc1nc(N2CCNCC2)c2nc(Cl)ccc2n1.Nc1nc(N2CCNCC2)c2nc(Cl)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.40
HRH3 Q9Y5N1 5/20 0.40
KCNH2 Q12809 4/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAP2K7 O14733 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R1 P27986 1/20 0.35
MTOR P42345 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL4537485 0.94 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL8254289 0.90 IRAK4 (0.37) HRH4HRH3PDE4APDE4BPDE4C
SCHEMBL3922884 0.84 HRH4 (0.48) HRH4HRH3KCNH2HRH1
SCHEMBL4527848 0.82 CYP1A2 (0.41) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL4525820 0.82 PIK3CA (0.39) HRH4PIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4522361 0.81 MAPT (0.43) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL3931130 0.81 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL8146567 0.80 HRH4 (0.51) HRH4HRH3KCNH2HRH1
SCHEMBL3918629 0.77 ABL1 (0.42) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL4522932 0.77 ADORA3 (0.47) PIK3CAPIK3CDPIK3CGPIK3R1MTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH4 1280/4885HRH3 1273/4885KCNH2 2619/4885

“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.