SCHEMBL4980684

SCHEMBL4980684

c1nc2c(c(N3CCN(C4CCC4)CC3)n1)CCN(Cc1ccc(N3CCCC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.47
L3MBTL1 Q9Y468 8/20 0.47
TP53BP1 Q12888 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HRH1 P35367 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL4978459 0.93 L3MBTL3 (0.51) L3MBTL3L3MBTL1TP53BP1MEN1KMT2A
SCHEMBL4976766 0.89 HRH3 (0.47) MEN1KMT2AHRH3HRH1
SCHEMBL4976294 0.89 MEN1 (0.54) MEN1KMT2AHRH3HRH1MAPT
SCHEMBL4071423 0.89 HRH1 (0.46) MEN1KMT2AHRH3HRH1MAPT
SCHEMBL4980381 0.87 MEN1 (0.40) L3MBTL3L3MBTL1TP53BP1MEN1KMT2A
SCHEMBL4981995 0.87 HRH1 (0.49) MEN1KMT2AHRH3HRH1MAPT
SCHEMBL4980449 0.86 MEN1 (0.43) MEN1KMT2AHRH3HRH1
SCHEMBL4976444 0.84 MEN1 (0.43) MEN1KMT2AHRH3HRH1MAPT
SCHEMBL4980599 0.82 ALDH1A1 (0.41) MEN1KMT2AHRH3
SCHEMBL4978218 0.82 PIK3CA (0.39) L3MBTL3MEN1KMT2AHRH3HRH1

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 L3MBTL3 2564/4885L3MBTL1 2549/4885TP53BP1 2404/4885

“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.