SCHEMBL1035183

SCHEMBL1035183

O=C(Nc1cccc2ccc(-c3ccc(F)nc3)nc12)c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK10 P53779 1/20 0.38
KDR P35968 4/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAP3K5 Q99683 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL1034649 0.88 PIM1 (0.42) PIM1CSNK1DCSNK1EMEN1KMT2A
SCHEMBL1033960 0.88 ALDH1A1 (0.51) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1036137 0.86 PIM1 (0.43) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1204671 0.86 PIM1 (0.47) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1034502 0.86 PIM1 (0.48) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1035367 0.86 PIM1 (0.41) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1030011 0.85 PIM1 (0.43) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1031299 0.85 IRAK4 (0.52) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1033979 0.85 PIM1 (0.45) PIM1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1031894 0.84 MAPT (0.41) PIM1HTTSMN1; SMN2ALDH1A1HPGD

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

“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.