SCHEMBL1035458

SCHEMBL1035458

CS(=O)(=O)c1ccc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.42
PIM1 P11309 1/20 0.41
PRKDC P78527 1/20 0.38
KIF18A Q8NI77 1/20 0.38
MMP2 P08253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FYN P06241 1/20 0.37
MAPK10 P53779 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1033961 0.90 PRKDC (0.41) ATRPIM1PRKDCKIF18AMMP2
SCHEMBL1032755 0.89 PIK3C3 (0.41) ATRPIM1PRKDCKIF18AMMP2
SCHEMBL1030011 0.88 PIM1 (0.43) PIM1RAB9AALDH1A1HPGDHTT
SCHEMBL1204671 0.86 PIM1 (0.47) PIM1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1034502 0.86 PIM1 (0.48) PIM1KDM4ERAB9AALDH1A1HPGD
SCHEMBL1033979 0.85 PIM1 (0.45) PIM1KDM4EALDH1A1HPGDHTT
SCHEMBL1033960 0.84 ALDH1A1 (0.51) PIM1RAB9AALDH1A1HPGDHTT
SCHEMBL1029981 0.83 PIM1 (0.42) ATRPIM1MMP2RAB9AALDH1A1
SCHEMBL17772320 0.83 NPC1 (0.47) PIM1RAB9AALDH1A1HPGDHTT
SCHEMBL1031176 0.82 NPC1 (0.47) ATRPIM1RAB9AALDH1A1HPGD

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 ATR 1057/4885PIM1 4218/4885PRKDC 4501/4885

“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.