SCHEMBL5489364

SCHEMBL5489364

FC(F)(F)c1ccc(Nc2ncnc3c2cnn3-c2ncccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.56
MAPT P10636 11/20 0.53
TP53 P04637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 4/20 0.48
THRB P10828 1/20 0.48
PIP4K2A P48426 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL5474863 0.90 MAPT (0.53) TRPV1MAPTTP53KDM4EHSD17B10
SCHEMBL5486026 0.85 MAPT (0.57) TRPV1MAPTTP53KDM4EHSD17B10
SCHEMBL5472035 0.74 MAPT (0.57) MAPTTP53KDM4EHSD17B10MEN1
SCHEMBL839893 0.74 CYP17A1 (0.54)
SCHEMBL6268886 0.73 LMNA (0.73) MAPTTP53KDM4EMEN1HTT
SCHEMBL2854722 0.73 TRPV1 (0.87) TRPV1
SCHEMBL25339285 0.73 EPHX2 (0.56) TRPV1MEN1KMT2ARAB9A
SCHEMBL10272234 0.72 CYP17A1 (0.52)
SCHEMBL4182371 0.71 TRPV1 (1.00) TRPV1
SCHEMBL16363265 0.71 MAPT (0.61) MAPTTP53KDM4EHSD17B10MEN1

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-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 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-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 TRPV1 861/4885MAPT 4604/4885TP53 3265/4885

“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.