SCHEMBL4980704

SCHEMBL4980704

c1cc(N2CCOCC2)ncc1CN1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
HSP90AB1 P08238 6/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
FLT3 P36888 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
SCHEMBL4975501 0.94 LMNA (0.54) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4977885 0.93 LMNA (0.48) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4976885 0.86 LMNA (0.57) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4980324 0.83 LMNA (0.50) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4978686 0.82 LMNA (0.64) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4979105 0.82 HSP90AB1 (0.62) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4978720 0.82 LMNA (0.53) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4980368 0.81 MEN1 (0.46) LMNAHSP90AB1POLBMAPTTP53
SCHEMBL4978255 0.81 TRPV6 (0.53) LMNAHSP90AB1POLBMAPTTDP1
SCHEMBL4977730 0.80 PIK3CA (0.41) LMNAHRH3PIK3CAMTORPIK3CG

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 4534/4885HSP90AB1 2652/4885POLB 1658/4885

“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.