SCHEMBL1033979

SCHEMBL1033979

O=C(Nc1cccc2ccc(-c3ccncc3)nc12)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDR P35968 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
POLB P06746 2/20 0.40
MAPK10 P53779 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PLEC Q15149 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
SCHEMBL1034502 0.92 PIM1 (0.48) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1031299 0.91 IRAK4 (0.52) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1204671 0.90 PIM1 (0.47) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1030011 0.89 PIM1 (0.43) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1033053 0.86 ALDH1A1 (0.45) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1036137 0.86 PIM1 (0.43) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1029976 0.86 MEN1 (0.43) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1035458 0.85 ATR (0.42) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1035367 0.85 PIM1 (0.41) PIM1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL1034595 0.85 SMN1; SMN2 (0.42) PIM1SMN1; SMN2HTTALDH1A1HPGD

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 PIM1 4218/4885SMN1; SMN2 2735/4885HTT 189/4885

“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.