SCHEMBL1031845

SCHEMBL1031845

Cc1cnc(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
FGFR4 P22455 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
PARP1 P09874 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
DHODH Q02127 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.42
SCD O00767 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1034840 0.86 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1034416 0.86 KMT2A (0.48) ALDH1A1FGFR4MAPKAPK2PIK3CDPIK3CA
SCHEMBL1031321 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1032901 0.84 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL1074924 0.83 ALDH1A1 (0.52) ALDH1A1FGFR4MAPKAPK2KDM4ESMN1; SMN2
SCHEMBL1034835 0.83 SIRT2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1035299 0.82 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ASCDCNR2MEN1
SCHEMBL1034646 0.82 BCL2L1 (0.55) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1034654 0.81 RAB9A (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL12673381 0.81 PARP1 (0.60) ALDH1A1KDM4ESMN1; SMN2PARP1KMT2A

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 ALDH1A1 2326/4885FGFR4 3855/4885MAPKAPK2 1185/4885

“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.