SCHEMBL4978692

SCHEMBL4978692

c1ccc2nc(CN3CCc4nc(N5CCN(C6CCC6)CC5)ncc4C3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.49
HSP90AB1 P08238 5/20 0.48
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4980688 0.94 HRH3 (0.46) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL14346715 0.86 MAPT (0.45) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4981551 0.84 HSP90AB1 (0.61) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4974972 0.84 HSP90AB1 (0.52) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4981945 0.84 LMNA (0.52) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4979554 0.83 MAPT (0.55) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4980399 0.81 MAPT (0.75) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4973632 0.81 MAPT (0.60) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4974757 0.79 HSP90AB1 (0.57) LMNAMAPTTP53HSP90AB1POLB
SCHEMBL4975134 0.79 LMNA (0.76) LMNAMAPTTP53HSP90AB1POLB

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 LMNA 4534/4885MAPT 2301/4885TP53 1765/4885

“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.