SCHEMBL3045044

SCHEMBL3045044

COc1nc(N)c2c(n1)CCN(c1ccc(Cl)c(Cl)c1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
ABL1 P00519 1/20 0.38
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
BCL2A1 Q16548 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
DGAT1 O75907 2/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 4/20 0.36
DHFR P00374 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD51 Q06609 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
SCHEMBL3054040 0.90 DGAT1 (0.38) DPP4HTR2AHTR2CDGAT1HTR2B
SCHEMBL3050243 0.87 DPP4 (0.39) DPP4DGAT1MAPTSMN1; SMN2
SCHEMBL3055541 0.83 ALDH1A1 (0.41) DPP4DGAT1
SCHEMBL3713246 0.83 C5AR1 (0.39) DPP4DGAT1SMN1; SMN2
SCHEMBL3057537 0.82 DGAT1 (0.36) DPP4DGAT1
SCHEMBL3049764 0.82 GRM5 (0.37) DPP4DGAT1MAPT
SCHEMBL3037263 0.81 DGAT1 (0.41) DGAT1MAPT
SCHEMBL3040687 0.81 DGAT1 (0.35) DPP4HTR2CDGAT1
SCHEMBL3047616 0.81 DGAT1 (0.47) DGAT1
SCHEMBL3053703 0.81 DGAT1 (0.37) DPP4DGAT1MAPT

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 9 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 claimed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO claimed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US claimed
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 DPP4 141/4885ABL1 13/4885SLC6A2 3116/4885

“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.