SCHEMBL4978554

SCHEMBL4978554

O=C(c1ccc(Cl)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.63
KDM2B Q8NHM5 1/20 0.53
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 9/20 0.49
KCNH2 Q12809 2/20 0.49
SLC6A7 Q99884 1/20 0.45
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
GBA1 P04062 1/20 0.42
KMT2A Q03164 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42

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
SCHEMBL4973611 0.90 HSP90AB1 (0.52) HSP90AB1KDM2BHRH3KCNH2L3MBTL3
SCHEMBL4978632 0.90 HSP90AB1 (0.51) HSP90AB1KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL4979058 0.90 KDM2B (0.53) HSP90AB1KDM2BHRH3SLC6A7L3MBTL3
SCHEMBL4977103 0.90 HSP90AB1 (0.63) HSP90AB1HRH3KCNH2SLC6A7L3MBTL3
SCHEMBL4981391 0.90 HSP90AB1 (0.51) HSP90AB1KDM2BHRH3KCNH2L3MBTL1
SCHEMBL4977942 0.90 KDM4E (0.53) HSP90AB1KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL4976359 0.90 HSP90AB1 (0.52) HSP90AB1KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL4977835 0.90 HSP90AB1 (0.51) HSP90AB1KDM2BHRH3L3MBTL3L3MBTL1
SCHEMBL4976987 0.90 HSP90AB1 (0.51) HSP90AB1KDM2BHRH3KCNH2L3MBTL3
SCHEMBL4976464 0.89 HSP90AB1 (0.51) HSP90AB1KDM2BHRH3KCNH2L3MBTL1

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 HSP90AB1 2652/4885KDM2B 1937/4885HSD17B10 4078/4885

“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.