SCHEMBL4981532

SCHEMBL4981532

O=C(Cc1ccc(F)cc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.43
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
P2RX7 Q99572 2/20 0.37
KCNH2 Q12809 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
CCR4 P51679 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 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 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4976666 0.92 ERCC1 (0.46) HSP90AB1ERCC1ERCC4CCR4MAPK1
SCHEMBL4980401 0.92 HSP90AB1 (0.44) HSP90AB1KCNH2GPR119CCR4HRH3
SCHEMBL4980033 0.88 MAPT (0.48) HSP90AB1MAPK1MAPTTP53
SCHEMBL4977925 0.86 HSP90AB1 (0.48) HSP90AB1HRH3MAPK1MAPT
SCHEMBL4978685 0.85 KDM4E (0.44) HSP90AB1KCNH2HRH3MAPK1
SCHEMBL4974618 0.84 HSP90AB1 (0.43) HSP90AB1HRH3MAPTTP53
SCHEMBL4976877 0.84 HRH3 (0.44) HSP90AB1KCNH2HRH3
SCHEMBL4978535 0.84 HSP90AB1 (0.44) HSP90AB1TLR4TLR9TLR8TLR7
SCHEMBL4973690 0.83 HSP90AB1 (0.43) HSP90AB1CCR4HRH3MAPK1TLR4
SCHEMBL14346483 0.83 HSP90AB1 (0.43) HSP90AB1ERCC1ERCC4CCR4HRH3

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 2652/4885GALR3 184/4885NR2F2 3173/4885

“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.