SCHEMBL3053703

SCHEMBL3053703

CCc1ccc(N2CCc3nc(OC)nc(N)c3C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
GRM5 P41594 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.33
F10 P00742 3/20 0.32
F2 P00734 1/20 0.32
SLC29A1 Q99808 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
SCHEMBL3050656 0.88 DGAT1 (0.35) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL3045058 0.87 DGAT1 (0.43) DGAT1MAPT
SCHEMBL3048996 0.86 TLR7 (0.38) DGAT1MAPTALDH1A1F10F2
SCHEMBL3049759 0.86 DGAT1 (0.38) DGAT1F10F2
SCHEMBL3050243 0.86 DPP4 (0.39) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL3057537 0.86 DGAT1 (0.36) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL3049764 0.85 GRM5 (0.37) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL3045843 0.84 ALDH1A1 (0.38) DGAT1KDM4EMAPTALDH1A1POLB
SCHEMBL3713246 0.84 C5AR1 (0.39) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL3047616 0.84 DGAT1 (0.47) DGAT1F10F2

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
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
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 4223/4885PDE4A 375/4885PDE4B 222/4885

“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.