SCHEMBL4976864

SCHEMBL4976864

CNC(=O)c1ccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.51
TLR9 Q9NR96 2/20 0.41
HRH3 Q9Y5N1 5/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL4980599 0.90 ALDH1A1 (0.41) CXCR3HRH3MEN1KMT2A
SCHEMBL4976294 0.85 MEN1 (0.54) HRH3MEN1KMT2ATLR7
SCHEMBL4976766 0.83 HRH3 (0.47) CXCR3TLR9HRH3MEN1KMT2A
SCHEMBL4071423 0.83 HRH1 (0.46) HRH3MEN1KMT2A
SCHEMBL4980449 0.83 MEN1 (0.43) CXCR3HRH3CYP2D6MEN1KMT2A
SCHEMBL4980684 0.82 L3MBTL3 (0.47) HRH3MEN1KMT2A
SCHEMBL4981995 0.81 HRH1 (0.49) HRH3MEN1KMT2ATLR7
SCHEMBL4976444 0.81 MEN1 (0.43) CXCR3TLR9HRH3MEN1KMT2A
SCHEMBL4981943 0.78 MEN1 (0.55) CXCR3HRH3MEN1KMT2ATLR7
SCHEMBL4980381 0.78 MEN1 (0.40) CXCR3TLR9HRH3MEN1KMT2A

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 1 patent. 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

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 CXCR3 296/4885TLR9 653/4885HRH3 1/4885

“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.