SCHEMBL4980688

SCHEMBL4980688

c1ccc2nc(CN3CCc4cnc(N5CCN(C6CCC6)CC5)nc4CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
TP53 P04637 3/20 0.41
HSP90AB1 P08238 3/20 0.41
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
POLB P06746 1/20 0.39
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL4978692 0.94 LMNA (0.49) HRH3MAPTLMNATP53HSP90AB1
SCHEMBL4978720 0.84 LMNA (0.53) MAPTLMNATP53HSP90AB1POLB
SCHEMBL4976429 0.84 HSP90AB1 (0.44) MAPTLMNATP53HSP90AB1POLB
SCHEMBL4980568 0.84 MAPT (0.44) MAPTLMNATP53HSP90AB1POLB
SCHEMBL4976928 0.82 MAPT (0.47) HRH3MAPTLMNATP53HSP90AB1
SCHEMBL4979054 0.81 MAPT (0.51) MAPTLMNATP53HSP90AB1POLB
SCHEMBL4979044 0.81 MAPT (0.64) MAPTLMNATP53HSP90AB1POLB
SCHEMBL14346715 0.80 MAPT (0.45) MAPTLMNATP53HSP90AB1POLB
SCHEMBL4976233 0.79 HRH3 (0.47) HRH3LMNA
SCHEMBL4979788 0.79 TLR4 (0.45) HRH3MAPTLMNATP53HSP90AB1

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 HRH3 1/4885MAPT 2301/4885LMNA 4534/4885

“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.