SCHEMBL1035335

SCHEMBL1035335

O=C(Nc1cc[nH]n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMO O15229 1/20 0.42
PARP1 P09874 3/20 0.41
RXFP1 Q9HBX9 6/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MAPT P10636 1/20 0.39
SORT1 Q99523 1/20 0.39

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
SCHEMBL1031638 0.84 ALDH1A1 (0.47) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1033871 0.84 FGFR4 (0.51) FGFR4MAPKAPK2CNR2KMOPARP1
SCHEMBL1034065 0.83 RXFP1 (0.53) PARP1RXFP1CA12CA1CA2
SCHEMBL1033391 0.83 SIRT2 (0.50) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1034305 0.82 KMO (0.49) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1035391 0.82 MAPK1 (0.53) FGFR4MAPKAPK2RXFP1MAPT
SCHEMBL1035365 0.82 PHGDH (0.46) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1034603 0.82 ALOX15 (0.59) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1035234 0.82 MPL (0.52) FGFR4MAPKAPK2CNR1CNR2KMO
SCHEMBL1034072 0.81 JAK2 (0.51) CNR1CNR2KMORXFP1CA12

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 FGFR4 3855/4885MAPKAPK2 1185/4885CNR1 1971/4885

“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.