SCHEMBL4977007

SCHEMBL4977007

O=C(C=Cc1cccc(F)c1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.41
PTPN11 Q06124 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPT P10636 2/20 0.36
OGA O60502 1/20 0.35
LMNA P02545 1/20 0.35
C3AR1 Q16581 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ENPP2 Q13822 1/20 0.34
HSP90AA1 P07900 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4976999 1.00 HSP90AB1 (0.41) HSP90AB1PTPN11L3MBTL1TLR4TLR9
SCHEMBL4976155 0.93 HSP90AB1 (0.42) HSP90AB1PTPN11TLR4TLR9TLR8
SCHEMBL4976144 0.93 HSP90AB1 (0.42) HSP90AB1PTPN11TLR4TLR9TLR8
SCHEMBL4978724 0.87 KDM4E (0.46) HSP90AB1PTPN11TLR4TLR9TLR8
SCHEMBL4978716 0.87 KDM4E (0.46) HSP90AB1PTPN11TLR4TLR9TLR8
SCHEMBL4976281 0.87 MAPT (0.47) HSP90AB1PTPN11L3MBTL1MAPTALDH1A1
SCHEMBL4976267 0.87 MAPT (0.47) HSP90AB1PTPN11L3MBTL1MAPTALDH1A1
SCHEMBL4974732 0.86 MAPT (0.47) HSP90AB1PTPN11L3MBTL1TLR4TLR9
SCHEMBL4979891 0.86 PTPN11 (0.40) HSP90AB1PTPN11L3MBTL1TLR4TLR9
SCHEMBL4974712 0.86 MAPT (0.47) HSP90AB1PTPN11L3MBTL1TLR4TLR9

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 2 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

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 2652/4885PTPN11 4015/4885L3MBTL1 2549/4885

“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.