SCHEMBL4976873

SCHEMBL4976873

c1nc(N2CCN(C3CCC3)CC2)nc2c1CCN(CC1CCOC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 4/20 0.39
TRPA1 O75762 2/20 0.38
HSP90AB1 P08238 6/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4977104 0.94 HSP90AB1 (0.41) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4978741 0.93 MAPT (0.44) MAPTLMNAHSP90AB1TP53POLB
SCHEMBL4980335 0.88 MAPT (0.43) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4980292 0.86 CASP1 (0.44) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4979649 0.84 CYP11B2 (0.42) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4978007 0.82 MAPT (0.40) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4979788 0.81 TLR4 (0.45) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4979095 0.81 MAPT (0.50) MAPTLMNAHSP90AB1TP53POLB
SCHEMBL4976953 0.81 LMNA (0.52) MAPTLMNAHSP90AB1TLR4TLR9
SCHEMBL4980252 0.79 MAPT (0.48) MAPTLMNAHSP90AB1TP53POLB

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 MAPT 2301/4885LMNA 4534/4885TRPA1 910/4885

“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.