SCHEMBL4979798

SCHEMBL4979798

Cc1cc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 3/20 0.37
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GRM2 Q14416 1/20 0.36
SMYD2 Q9NRG4 2/20 0.35
MAP3K12 Q12852 1/20 0.34
GAA P10253 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
GNRHR P30968 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
SCHEMBL14273307 0.93 GRM2 (0.41) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4978270 0.81 TLR7 (0.54) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4981943 0.81 MEN1 (0.55) TLR7MEN1KMT2AHRH1HRH3
SCHEMBL4978237 0.80 MEN1 (0.43) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4980317 0.80 TLR7 (0.48) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4982005 0.80 HRH1 (0.40) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4974966 0.80 KMT2A (0.46) MEN1KMT2AHRH1HRH3GAA
SCHEMBL4981978 0.79 LMNA (0.43) TLR7TLR9LMNATLR8
SCHEMBL4979737 0.79 TLR7 (0.45) TLR7MEN1KMT2ATLR9HRH1
SCHEMBL4975375 0.79 TLR7 (0.40) TLR7MEN1KMT2ATLR9HRH1

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 799/4885MEN1 4419/4885KMT2A 1417/4885

“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.