SCHEMBL3054040

SCHEMBL3054040

COc1nc(N)c2c(n1)CCN(c1ccc(Cl)c(F)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.38
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
DPP4 P27487 1/20 0.36
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
RAD51 Q06609 1/20 0.35
KDM1A O60341 1/20 0.35
HTR2C P28335 2/20 0.33
PTPN11 Q06124 1/20 0.33
MMP2 P08253 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL3045044 0.90 DPP4 (0.38) DGAT1DPP4RAD51HTR2CHTR2A
SCHEMBL3040687 0.86 DGAT1 (0.35) DGAT1DPP4HTR2CPDE4APDE4B
SCHEMBL3054579 0.85 DGAT1 (0.34) DGAT1DPP4PDE4APDE4BPDE4C
SCHEMBL3050243 0.84 DPP4 (0.39) DGAT1DPP4PDE4APDE4BPDE4C
SCHEMBL3055541 0.81 ALDH1A1 (0.41) DGAT1DPP4
SCHEMBL3713246 0.80 C5AR1 (0.39) DGAT1DPP4PTPN11PDE4APDE4B
SCHEMBL3057537 0.80 DGAT1 (0.36) DGAT1DPP4PDE4APDE4BPDE4C
SCHEMBL3049764 0.79 GRM5 (0.37) DGAT1DPP4PDE4APDE4BPDE4C
SCHEMBL3054153 0.79 F10 (0.40) DGAT1
SCHEMBL3037263 0.79 DGAT1 (0.41) DGAT1CYP11B2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR DGAT1 4223/4885CYP11B2 605/4885CYP11B1 707/4885

“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.