SCHEMBL4980362

SCHEMBL4980362

CC(C)C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HRH1 P35367 1/20 0.39
AKT1 P31749 6/20 0.37
AKT2 P31751 6/20 0.37
AKT3 Q9Y243 6/20 0.37
GPR6 P46095 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
KRAS P01116 1/20 0.36
P2RX7 Q99572 3/20 0.36
F12 P00748 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL4975023 0.90 TLR7 (0.38) HRH3HRH1AKT1AKT2AKT3
SCHEMBL4975038 0.88 KCNK3 (0.38) HRH3HRH1AKT1AKT2AKT3
SCHEMBL4980311 0.87 KDM4E (0.46) HRH3HRH1AKT1AKT2AKT3
SCHEMBL4974700 0.85 TLR7 (0.40) HRH3HRH1GPR6TLR7KRAS
SCHEMBL4976905 0.85 PARP1 (0.37) HRH3HRH1AKT1AKT2AKT3
SCHEMBL4974693 0.85 HRH3 (0.40) HRH3HRH1TLR7KRASP2RX7
SCHEMBL4978472 0.85 HRH3 (0.40) HRH3HRH1KRASP2RX7KCNK3
SCHEMBL4978437 0.84 HRH1 (0.42) HRH3HRH1TLR7KRASP2RX7
SCHEMBL4976255 0.83 KCNK3 (0.44) HRH3AKT1AKT2AKT3P2RX7
SCHEMBL4982023 0.83 KCNK3 (0.43) HRH3HRH1TLR7KRASP2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885AKT1 2751/4885

“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.