SCHEMBL1035339

SCHEMBL1035339

FC(F)(F)c1cccc(-c2ccc3cccc(CNc4cccnc4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KCNA5 P22460 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 2/20 0.42
NPY5R Q15761 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL13627227 0.80 CTSS (0.47) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL1033950 0.79 CYP3A4 (0.53) CLK1DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL1033262 0.78 SCN9A (0.48) KDM4EL3MBTL1TSHRMAPTALDH1A1
SCHEMBL1032356 0.78 CSF1R (0.54) L3MBTL1TSHRMAPTKMT2AMEN1
SCHEMBL1034161 0.76 CTSS (0.47) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL1032552 0.76 CTSS (0.47) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL1034243 0.74 SCN9A (0.47) ALDH1A1PIM1TRPV3
SCHEMBL13854087 0.74 CTSS (0.58) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL1033492 0.73 SORT1 (0.57) KDM4ETSHRSIGMAR1MAPTALDH1A1
SCHEMBL1034606 0.72 KDM1A (0.48) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIF11 2426/4885CLK1 622/4885DYRK1A 1745/4885

“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.