SCHEMBL4978504

SCHEMBL4978504

CC(C)(C)N1CCN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.43
RECQL P46063 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
CFTR P13569 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
LIMK1 P53667 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 2/20 0.41
ABCC1 P33527 3/20 0.41
MAPT P10636 2/20 0.40
ABCB1 P08183 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL4976697 0.84 BRS3 (0.46) BRS3RECQLHRH4CFTRACHE
SCHEMBL4975207 0.83 ALDH1A1 (0.49) BRS3RECQLCFTRALDH1A1NPSR1
SCHEMBL5880441 0.83 BRS3 (0.53) BRS3LIMK1ALDH1A1NPSR1HPGD
SCHEMBL4976824 0.82 HRH3 (0.51) BRS3RECQLCFTRALDH1A1NPSR1
SCHEMBL4978612 0.82 BRS3 (0.40) BRS3RECQLHRH4CFTRACHE
SCHEMBL29697506 0.82 KIT (0.50) BRS3ACHEMAPTTP53
SCHEMBL4982036 0.81 HRH3 (0.53) BRS3RECQLCFTRALDH1A1NPSR1
SCHEMBL4981995 0.81 HRH1 (0.49) BRS3RECQLACHELIMK1ALDH1A1
SCHEMBL4071423 0.81 HRH1 (0.46) BRS3RECQLCFTRLIMK1ALDH1A1
SCHEMBL4976382 0.79 CFTR (0.47) BRS3RECQLHRH4CFTRACHE

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 BRS3 177/4885RECQL 879/4885HRH4 2/4885

“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.