SCHEMBL1034271

SCHEMBL1034271

O=C(Nc1cccc2ccc(Cl)nc12)c1cscn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.49
▸ KDR P35968 5/20 0.48
▸ MAPK10 P53779 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM1 Q13255 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PLEC Q15149 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1034502 0.83 PIM1 (0.48) PIM1KDRMAPK10L3MBTL1GAA
SCHEMBL1033979 0.82 PIM1 (0.45) PIM1KDRMAPK10L3MBTL1GAA
SCHEMBL1204671 0.81 PIM1 (0.47) PIM1KDRMAPK10L3MBTL1GAA
SCHEMBL1030011 0.80 PIM1 (0.43) PIM1KDRMAPK10GAAMEN1
SCHEMBL1031188 0.80 PIM1 (0.48) PIM1KDRMAPK10L3MBTL1GAA
SCHEMBL1031299 0.80 IRAK4 (0.52) PIM1KDRL3MBTL1GAAALDH1A1
SCHEMBL17772356 0.79 MAPT (0.46) PIM1KDRGAAMEN1KMT2A
SCHEMBL1074760 0.79 PIM1 (0.45) PIM1KDRMAPK10GAAMEN1
SCHEMBL1029976 0.79 MEN1 (0.43) PIM1KDRMAPK10L3MBTL1GAA
SCHEMBL1036137 0.79 PIM1 (0.43) PIM1KDRMAPK10L3MBTL1GAA

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 9 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
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 PIM1 4218/4885KDR 1845/4885MAPK10 1733/4885

“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.

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