SCHEMBL4978229

SCHEMBL4978229

O=C(c1cccnc1Sc1ccc(Cl)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.50
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL4981497 0.93 HRH3 (0.45) HSP90AB1KDM4EHRH3HCRTR1HCRTR2
SCHEMBL4974632 0.87 KMT2A (0.46) HSP90AB1KDM4EHCRTR1HCRTR2LMNA
SCHEMBL4978732 0.87 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2KDM2BMAPT
SCHEMBL4978679 0.85 HSP90AB1 (0.44) HSP90AB1HCRTR1HCRTR2LMNAMAPT
SCHEMBL14273428 0.84 HSP90AB1 (0.50) HSP90AB1HRH3HCRTR1HCRTR2MAPT
SCHEMBL4978054 0.83 HSD11B1 (0.46) HSP90AB1HCRTR1HCRTR2LMNAMAPT
SCHEMBL4985760 0.83 HSP90AB1 (0.42) HSP90AB1HCRTR1HCRTR2KDM2BMAPT
SCHEMBL4980539 0.83 HSP90AB1 (0.48) HSP90AB1HCRTR1HCRTR2KDM2BMAPT
SCHEMBL4976243 0.82 KDM2B (0.54) HSP90AB1KDM4EHTTHRH3HCRTR1
SCHEMBL4978554 0.82 HSP90AB1 (0.63) HSP90AB1HRH3KDM2B

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 HSP90AB1 2652/4885KDM4E 1865/4885HTT 640/4885

“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.