SCHEMBL1035601

SCHEMBL1035601

O=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
DYRK1A Q13627 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHRM4 P08173 1/20 0.39
TRPV4 Q9HBA0 5/20 0.39
DRD4 P21917 1/20 0.39
CNR2 P34972 2/20 0.38
ACKR3 P25106 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ACP1 P24666 1/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38

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
SCHEMBL1033836 0.93 CNR2 (0.47) KCNH2CTSKTRPV4CNR2
SCHEMBL1034330 0.86 ACKR3 (0.38) DYRK1AKCNH2ACKR3
SCHEMBL1031261 0.86 FGFR4 (0.49) FGFR4MAPKAPK2DYRK1ADRD4CNR2
SCHEMBL1031635 0.86 ITGB3 (0.43) ITGB3ITGA2BTRPV4
SCHEMBL1032169 0.86 HIF1A (0.44) FGFR4MAPKAPK2ITGB3ITGA2BMEN1
SCHEMBL1032595 0.85 SCN10A (0.45) FGFR4MAPKAPK2MEN1KMT2ACNR2
SCHEMBL1034429 0.85 DYRK1A (0.42) DYRK1AACKR3
SCHEMBL17772311 0.83 CNR2 (0.46) KCNH2CTSKTRPV4CNR2
SCHEMBL13187526 0.83 BRAF (0.40) DYRK1ADRD4CNR2ACKR3
SCHEMBL1035299 0.82 SMN1; SMN2 (0.43) ITGB3ITGA2BMEN1KMT2ACNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 FGFR4 3855/4885MAPKAPK2 1185/4885ITGB3 4512/4885

“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.