SCHEMBL3040583

SCHEMBL3040583

CC(C)(C)c1ccc(N2CCc3nc(Cl)nc(N)c3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.48
KDR P35968 3/20 0.37
PDGFRB P09619 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
F10 P00742 3/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
HSD11B1 P28845 1/20 0.33
F2 P00734 1/20 0.32
PTPN11 Q06124 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3046690 0.85 F10 (0.37) DGAT1F10F2
SCHEMBL3047616 0.83 DGAT1 (0.47) DGAT1KDRPDGFRBNPSR1F10
SCHEMBL3055812 0.81 DGAT1 (0.47) DGAT1KDRPDGFRBF10F2
SCHEMBL3049225 0.80 DGAT1 (0.65) DGAT1KDRPDGFRB
SCHEMBL3054150 0.74 DGAT1 (0.40) DGAT1F10F2
SCHEMBL3046119 0.74 DGAT1 (0.38) DGAT1F10F2
SCHEMBL3042805 0.74 DGAT1 (0.38) DGAT1F10F2
SCHEMBL3050243 0.73 DPP4 (0.39) DGAT1F10DRD2SMN1; SMN2ALDH1A1
SCHEMBL3054153 0.73 F10 (0.40) DGAT1F10HSD11B1F2
SCHEMBL3050239 0.73 DGAT1 (0.39) 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 3 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

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 4223/4885KDR 552/4885PDGFRB 301/4885

“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.