SCHEMBL4525820

SCHEMBL4525820

CC(=O)Nc1nc(N2CCN(C)CC2)c2nc(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MTOR P42345 2/20 0.39
PIK3R1 P27986 1/20 0.39
SOS2 Q07890 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL4522361 0.89 MAPT (0.43) PIK3CAPIK3CDPIK3CGCNR2MTOR
SCHEMBL4527848 0.89 CYP1A2 (0.41) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL4537485 0.87 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGHTR3BHTR3A
SCHEMBL3931130 0.87 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL8254289 0.83 IRAK4 (0.37) PIK3CAPIK3CDPIK3CGHRH4HTR3B
SCHEMBL4524713 0.82 HRH4 (0.40) PIK3CAPIK3CDPIK3CGHRH4MTOR
SCHEMBL4522864 0.80 HDAC10 (0.44) PIK3CAPIK3CDPIK3CGHRH4MAPT
SCHEMBL4367764 0.77 MTOR (0.49) PIK3CAHRH4HTR3AMTORPIK3R1
SCHEMBL823647 0.76 L3MBTL1 (0.41) MAPT
SCHEMBL3920264 0.76 ALDH1A1 (0.50) MAPTLMNAGAA

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 2 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 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.