SCHEMBL4574335

SCHEMBL4574335

C=C(N)c1nc2ccccc2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NQO2 P16083 3/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL8786032 0.79 TLR8 (0.56) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL60866 0.79 KDM4E (0.56) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8627406 0.77 TLR8 (0.54) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7045347 0.74 TLR8 (1.00) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL27559755 0.74 TLR8 (0.62) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9590284 0.73 TLR8 (0.67) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5117776 0.72 TLR8 (0.65) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL180365 0.72 TLR8 (0.65) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9589202 0.70 TLR8 (0.62) TLR8MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12969936 0.70 TLR8 (0.62) TLR8MEN1KMT2ASMN1; SMN2RAB9A

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
WO-2008067390-A9 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH CORP (US) 2009-05-22 WO disclosed
US-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof WYETH (US) 2008-10-23 US disclosed
WO-2008067390-A2 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH (US) 2008-06-05 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-20080262228-A1 Metabolites of 5-fluoro-8- quinoline and methods of preparation and uses thereof UGT1A8, CYP2C8, NQO1 TLR8 523/4885MEN1 1028/4885KMT2A 565/4885

“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.