SCHEMBL4979737

SCHEMBL4979737

CCn1cncc1CN1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.45
TLR9 Q9NR96 7/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 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
SCHEMBL4978270 0.84 TLR7 (0.54) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4980317 0.81 TLR7 (0.48) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4975436 0.79 LMNA (0.41) LMNA
SCHEMBL4979798 0.79 TLR7 (0.38) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4977027 0.79 TLR7 (0.52) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4978177 0.78 TLR7 (0.51) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4979734 0.78 TLR7 (0.51) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4981943 0.77 MEN1 (0.55) TLR7MEN1KMT2AHRH1HRH3
SCHEMBL4975375 0.77 TLR7 (0.40) TLR7TLR9MEN1KMT2AHRH1
SCHEMBL4978082 0.77 TLR7 (0.43) TLR7TLR9MEN1KMT2AHRH1

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 TLR7 799/4885TLR9 653/4885MEN1 4419/4885

“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.