SCHEMBL3713246

SCHEMBL3713246

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DGAT1 O75907 4/20 0.35
F10 P00742 1/20 0.34
MCHR1 Q99705 2/20 0.33
NPBWR1 P48145 1/20 0.33
DPP4 P27487 1/20 0.33
MGLL Q99685 1/20 0.32
PTPN11 Q06124 1/20 0.32
PDE4A P27815 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
SCHEMBL3050243 0.88 DPP4 (0.39) MEN1KMT2ACYP1A2SMN1; SMN2POLB
SCHEMBL3049791 0.86 KMT2A (0.37) KMT2ADGAT1F10NPBWR1PDE4A
SCHEMBL3055426 0.86 DGAT1 (0.32) C5AR1DGAT1F10
SCHEMBL3049770 0.86 DGAT1 (0.34) C5AR1DGAT1F10
SCHEMBL3057537 0.86 DGAT1 (0.36) DGAT1F10DPP4PDE4APDE4B
SCHEMBL3049764 0.85 GRM5 (0.37) MEN1KMT2AALDH1A1DGAT1DPP4
SCHEMBL3050656 0.85 DGAT1 (0.35) C5AR1DGAT1F10MCHR1DPP4
SCHEMBL3045057 0.85 F10 (0.35) DGAT1F10
SCHEMBL3047616 0.84 DGAT1 (0.47) DGAT1F10
SCHEMBL3053703 0.84 DGAT1 (0.37) CYP1A2CYP2C19TDP1POLBALDH1A1

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 5 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

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 C5AR1 820/4885MEN1 678/4885KMT2A 3053/4885

“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.