SCHEMBL1031635

SCHEMBL1031635

O=C(Nc1nc(CN2CCCC2)cs1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALK Q9UM73 3/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
PDE5A O76074 1/20 0.41
MPL P40238 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
TRPA1 O75762 2/20 0.40
TRPV4 Q9HBA0 4/20 0.40
CFTR P13569 2/20 0.40
TRPV3 Q8NET8 1/20 0.40
USP2 O75604 1/20 0.40
USP8 P40818 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1033536 0.93 ALK (0.51) ALKCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL1032315 0.88 MPL (0.42) ALKMPLTRPA1POLB
SCHEMBL1034837 0.87 ALK (0.39) ALKPDE5AMAPTALDH1A1
SCHEMBL17772329 0.87 ALK (0.39) ALKMPLTRPA1ALDH1A1
SCHEMBL1035601 0.86 FGFR4 (0.41) ITGB3ITGA2BTRPV4
SCHEMBL1035299 0.85 SMN1; SMN2 (0.43) ITGB3ITGA2BMAPT
SCHEMBL1032169 0.84 HIF1A (0.44) ITGB3ITGA2BTRPV4
SCHEMBL13187242 0.84 ALK (0.41) ITGB3ITGA2BALKCSNK2A2CSNK2B
SCHEMBL1032901 0.82 NPC1 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MPL
SCHEMBL1031016 0.82 USP2 (0.56) CSNK2A2CSNK2BCSNK2A1CSNK2A3MPL

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 7 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

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 ITGB3 4512/4885ITGA2B 3839/4885ALK 4885/4885

“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.