SCHEMBL4979010

SCHEMBL4979010

O=C(c1cccnc1Oc1ccccc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.45
HRH3 Q9Y5N1 4/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
SLC6A7 Q99884 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
SCHEMBL14273428 0.93 HSP90AB1 (0.50) HSP90AB1HRH3HCRTR1HCRTR2MAPT
SCHEMBL4978874 0.91 HSP90AB1 (0.45) HSP90AB1HCRTR1HCRTR2MAPTPOLB
SCHEMBL4976769 0.89 TSHR (0.48) HSP90AB1HRH3HCRTR1HCRTR2PTPN11
SCHEMBL4980707 0.89 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2PTPN11MAPT
SCHEMBL4980440 0.88 KDM4E (0.49) HSP90AB1HCRTR1HCRTR2MAPT
SCHEMBL4979003 0.87 HSP90AB1 (0.45) HSP90AB1HCRTR1HCRTR2PTPN11MAPT
SCHEMBL4980588 0.87 HSP90AB1 (0.45) HSP90AB1HCRTR1HCRTR2MAPT
SCHEMBL4979568 0.86 HSP90AB1 (0.49) HSP90AB1HCRTR1HCRTR2MAPT
SCHEMBL4976026 0.85 HRH3 (0.54) HSP90AB1HRH3POLBSLC6A7
SCHEMBL4978732 0.85 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2PTPN11MAPT

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 2652/4885HRH3 1/4885HCRTR1 198/4885

“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.