SCHEMBL1033644

SCHEMBL1033644

O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.56
▸ MAPKAPK2 P49137 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ F10 P00742 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL1033871 0.85 FGFR4 (0.51) FGFR4MAPKAPK2NPC1RAB9AALOX15
SCHEMBL1031638 0.85 ALDH1A1 (0.47) FGFR4MAPKAPK2RXFP1ALDH1A1PARP1
SCHEMBL1035333 0.84 SMN1; SMN2 (0.57) FGFR4MAPKAPK2SMN1; SMN2TDP1NPC1
SCHEMBL1035234 0.83 MPL (0.52) FGFR4MAPKAPK2ALOX15RXFP1TSHR
SCHEMBL1034603 0.83 ALOX15 (0.59) FGFR4MAPKAPK2SMN1; SMN2NPC1RAB9A
SCHEMBL1052702 0.83 KCNQ3 (0.60) FGFR4MAPKAPK2RXFP1PARP1NFKB1
SCHEMBL1034305 0.82 KMO (0.49) FGFR4MAPKAPK2KMT2AMEN1RXFP1
SCHEMBL1031261 0.82 FGFR4 (0.49) FGFR4MAPKAPK2F10
SCHEMBL1035335 0.81 FGFR4 (0.46) FGFR4MAPKAPK2RXFP1PARP1KMO
SCHEMBL12673104 0.81 PARP1 (0.61) FGFR4MAPKAPK2SMN1; SMN2TDP1NPC1

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 1185/4885SMN1; 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.

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