SCHEMBL4976167

SCHEMBL4976167

COc1ccccc1CN1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
NTSR1 P30989 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
BCHE P06276 1/20 0.43
AURKA O14965 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GNAI3 P08754 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4979732 0.94 KMT2A (0.45) KMT2AMEN1TNKSPARP1TNKS2
SCHEMBL4976620 0.92 KDM4E (0.46) KMT2AMEN1TLR9TLR7CHRM2
SCHEMBL4980339 0.88 KDM4E (0.48) KMT2AMEN1TLR9TLR7ALDH1A1
SCHEMBL4974936 0.88 HSP90AB1 (0.45) KMT2AMEN1TLR9TLR7BCHE
SCHEMBL4978233 0.85 KDM4E (0.43) KMT2AMEN1TLR9TLR7CHRM2
SCHEMBL4976029 0.85 HRH1 (0.44) KMT2AMEN1TNKSPARP1TNKS2
SCHEMBL4975288 0.85 HRH3 (0.44) TNKSPARP1TNKS2CHRM1HRH1
SCHEMBL4083239 0.83 HRH1 (0.47) KMT2AMEN1HRH1HRH3ALDH1A1
SCHEMBL4976664 0.82 HRH1 (0.39) KMT2AMEN1TNKSPARP1TNKS2
SCHEMBL14273308 0.82 KDM4E (0.46) KMT2AMEN1TLR9TLR7ALDH1A1

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 KMT2A 1417/4885MEN1 4419/4885TNKS 1551/4885

“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.