SCHEMBL4551297

SCHEMBL4551297

CCCCCc1ccc2nc(NC(C)=O)nc(N3CCNCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
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
KDM4E B2RXH2 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR9 Q9NR96 1/20 0.33
GNAI3 P08754 1/20 0.33

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
SCHEMBL4288270 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL4537485 0.81 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL8254289 0.77 IRAK4 (0.37) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL4522932 0.77 ADORA3 (0.47) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL4552273 0.76 CFTR (0.35)
SCHEMBL4113869 0.76 MKNK2 (0.45) PIK3CAPIK3CDPIK3CGHRH4
SCHEMBL4524713 0.76 HRH4 (0.40) PIK3CAPIK3CDPIK3CGPIK3R1MTOR
SCHEMBL3918629 0.73 ABL1 (0.42) PIK3CAPIK3CDPIK3CG
SCHEMBL3930431 0.72 PDE4A (0.53) PIK3CAPIK3CDPIK3CGMEN1KMT2A
SCHEMBL4121660 0.72 TGFBR1 (0.39) PIK3CAPIK3CDPIK3CG

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 disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (4 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 FLT3 996/4885TYRO3 1976/4885MERTK 1688/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP FLT3 2589/4885TYRO3 559/4885MERTK 2030/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP FLT3 2589/4885TYRO3 559/4885MERTK 2030/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP FLT3 2589/4885TYRO3 559/4885MERTK 2030/4885

“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.