SCHEMBL1034595

SCHEMBL1034595

Cc1cncc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KDR P35968 3/20 0.41
PIM1 P11309 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 3/20 0.38
GRM4 Q14833 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
MEN1 O00255 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
SCHEMBL1031176 0.90 NPC1 (0.47) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1035367 0.88 PIM1 (0.41) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1030011 0.88 PIM1 (0.43) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1032755 0.87 PIK3C3 (0.41) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1033960 0.86 ALDH1A1 (0.51) SMN1; SMN2HTTALDH1A1HPGDPIM1
SCHEMBL1031299 0.85 IRAK4 (0.52) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1033979 0.85 PIM1 (0.45) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1033053 0.85 ALDH1A1 (0.45) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL17772320 0.85 NPC1 (0.47) SMN1; SMN2HTTALDH1A1HPGDKDR
SCHEMBL1034502 0.84 PIM1 (0.48) SMN1; SMN2HTTALDH1A1HPGDKDR

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 SMN1; SMN2 2735/4885HTT 189/4885ALDH1A1 2326/4885

“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.