SCHEMBL3045843

SCHEMBL3045843

COC(=O)c1ccc(N2CCc3nc(OC)nc(N)c3C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DGAT1 O75907 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
BCAT2 O15382 1/20 0.36
POLB P06746 1/20 0.35
GRM2 Q14416 1/20 0.35
OPRM1 P35372 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3050376 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10DGAT1HPGD
SCHEMBL3054577 0.87 DGAT1 (0.37) DGAT1BCAT2
SCHEMBL3045054 0.87 DGAT1 (0.37) ALDH1A1DGAT1HPGDSMN1; SMN2BCAT2
SCHEMBL3044987 0.87 DGAT1 (0.36) ALDH1A1DGAT1HPGDLMNAMAPT
SCHEMBL3042801 0.86 STS (0.38) ALDH1A1DGAT1SMN1; SMN2HTTLMNA
SCHEMBL3053703 0.84 DGAT1 (0.37) ALDH1A1KDM4EDGAT1HPGDPOLB
SCHEMBL3048996 0.84 TLR7 (0.38) ALDH1A1DGAT1SMN1; SMN2LMNAMAPT
SCHEMBL3050243 0.84 DPP4 (0.39) ALDH1A1HSD17B10DGAT1HPGDSMN1; SMN2
SCHEMBL3057537 0.84 DGAT1 (0.36) DGAT1
SCHEMBL3049764 0.83 GRM5 (0.37) ALDH1A1KDM4EDGAT1HPGDHTT

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 6 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
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 ALDH1A1 61/4885KDM4E 1629/4885HSD17B10 3159/4885

“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.