SCHEMBL3054577

SCHEMBL3054577

COc1nc(N)c2c(n1)CCN(c1ccc(C(=O)C(C)(C)C)cc1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.37
F10 P00742 15/20 0.36
F2 P00734 3/20 0.35
BCAT2 O15382 1/20 0.34
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
SCHEMBL3050376 0.88 ALDH1A1 (0.42) DGAT1F10F2BCAT2SLC29A1
SCHEMBL3045843 0.87 ALDH1A1 (0.38) DGAT1BCAT2
SCHEMBL3045054 0.85 DGAT1 (0.37) DGAT1F10F2BCAT2
SCHEMBL3044987 0.85 DGAT1 (0.36) DGAT1F10F2
SCHEMBL3047238 0.85 F10 (0.48) DGAT1F10F2
SCHEMBL3047616 0.84 DGAT1 (0.47) DGAT1F10F2
SCHEMBL3053950 0.84 F10 (0.39) DGAT1F10F2
SCHEMBL3054715 0.84 F10 (0.41) DGAT1F10F2SLC29A1
SCHEMBL3047643 0.84 F10 (0.40) DGAT1F10F2
SCHEMBL3044433 0.83 F10 (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 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 DGAT1 4223/4885F10 4408/4885F2 2084/4885

“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.