SCHEMBL4978085

SCHEMBL4978085

CCCCC(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38
PARP1 P09874 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.36
TLR9 Q9NR96 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1B P49286 1/20 0.34
KRAS P01116 1/20 0.34
UBE2N P61088 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
SCHEMBL4982023 0.94 KCNK3 (0.43) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL14346771 0.90 TLR7 (0.38) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4974700 0.90 TLR7 (0.40) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4977717 0.87 TLR7 (0.39) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4976905 0.87 PARP1 (0.37) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4978635 0.86 ALDH1A1 (0.48) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4980311 0.85 KDM4E (0.46) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4979872 0.84 ADORA2A (0.47) TLR7CNR1PARP1HRH3HRH1
SCHEMBL14346422 0.84 PARP1 (0.36) KCNK3KCNK9TLR7PARP1HRH3
SCHEMBL4982019 0.83 ADORA2A (0.46) TLR7CNR1PARP1HRH3HRH1

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 KCNK3 1990/4885KCNK9 2457/4885TLR7 799/4885

“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.