SCHEMBL4537485

SCHEMBL4537485

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
MTOR P42345 4/20 0.39
PIK3R1 P27986 3/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SRC P12931 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MKNK2 Q9HBH9 1/20 0.35
BPTF Q12830 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HTR6 P50406 2/20 0.34

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
SCHEMBL8254289 0.96 IRAK4 (0.37) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4524713 0.94 HRH4 (0.40) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4527848 0.88 CYP1A2 (0.41) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4525820 0.87 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4522361 0.86 MAPT (0.43) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL3931130 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL3918629 0.82 ABL1 (0.42) PIK3CAPIK3CDPIK3CGMKNK2USP2
SCHEMBL4522932 0.82 ADORA3 (0.47) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4551297 0.81 FLT3 (0.37) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4113869 0.81 MKNK2 (0.45) PIK3CAPIK3CDPIK3CGMKNK2

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 3 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

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 PIK3CA 609/4885PIK3CD 605/4885PIK3CG 547/4885

“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.