SCHEMBL1033950

SCHEMBL1033950

FC(F)(F)c1cccc(-c2ccc3cccc(NCc4cccnc4)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
VNN1 O95497 2/20 0.48
EPHB4 P54760 1/20 0.47
DDR1 Q08345 1/20 0.46
DDR2 Q16832 1/20 0.46
KDR P35968 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1204069 0.89 CYP3A4 (0.53) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1034303 0.89 VNN1 (0.48) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1035493 0.87 KMT2A (0.50) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1032557 0.85 CYP3A4 (0.55) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1035586 0.85 VNN1 (0.48) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1031391 0.85 VNN1 (0.43) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1035314 0.82 ADRA2C (0.49) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1033492 0.81 SORT1 (0.57) SIGMAR1KDM4EALDH1A1VNN1GAA
SCHEMBL1033966 0.80 CYP1A2 (0.57) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL1034307 0.80 NPC1 (0.45) KDM4EALDH1A1HTTSMN1; SMN2HSD17B10

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
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN 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 CYP3A4 2193/4885CYP2C19 3046/4885CYP1A2 2055/4885

“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.