SCHEMBL3048996

SCHEMBL3048996

COC(=O)Cc1ccc(N2CCc3nc(OC)nc(N)c3C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.38
DGAT1 O75907 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
LIPE Q05469 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
PTGER4 P35408 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
SLC29A1 Q99808 1/20 0.34
HDAC1 Q13547 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
SCHEMBL3053703 0.86 DGAT1 (0.37) DGAT1ALDH1A1MAPTF2F10
SCHEMBL3045843 0.84 ALDH1A1 (0.38) DGAT1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3049759 0.83 DGAT1 (0.38) DGAT1F2F10
SCHEMBL3050656 0.83 DGAT1 (0.35) DGAT1F2F10SLC29A1
SCHEMBL3050376 0.83 ALDH1A1 (0.42) DGAT1ALDH1A1F2F10SLC29A1
SCHEMBL3045058 0.82 DGAT1 (0.43) DGAT1SMN1; SMN2LMNAMAPT
SCHEMBL3050243 0.81 DPP4 (0.39) DGAT1SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3057537 0.81 DGAT1 (0.36) DGAT1F2F10SLC29A1
SCHEMBL3710128 0.81 DGAT1 (0.60) DGAT1
SCHEMBL3710125 0.81 DGAT1 (0.60) DGAT1

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
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-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 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 TLR7 96/4885DGAT1 4223/4885SMN1; SMN2 2217/4885

“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.