SCHEMBL1033069

SCHEMBL1033069

O=C(Nc1ccncn1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.53
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ATR Q13535 1/20 0.46
ABL1 P00519 4/20 0.42
PARP1 P09874 2/20 0.41
MAPT P10636 2/20 0.40
TYRO3 Q06418 2/20 0.40
DYRK1A Q13627 1/20 0.40
GAA P10253 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
BRAF P15056 1/20 0.40
FAAH O00519 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
SCHEMBL1034316 0.89 ALDH1A1 (0.47) MPLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1077022 0.86 MPL (0.51) MPLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1034847 0.85 KMT2A (0.54) ATRABL1MAPTDYRK1A
SCHEMBL1031038 0.82 LMNA (0.48) MPLMAPTTYRO3GAA
SCHEMBL1034851 0.81 DHODH (0.55) ATRPARP1MAPTTYRO3DYRK1A
SCHEMBL1032899 0.76 SIRT2 (0.51) MPLABL1MAPTDYRK1ABRAF
SCHEMBL1036232 0.76 SIRT2 (0.50) MPLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1031211 0.75 PARP1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL1032167 0.74 MEN1 (0.48) MPLABL1MAPT
SCHEMBL1035234 0.73 MPL (0.52) MPLCHRNB2CHRNB4CHRNA3CHRNA4

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 MPL 1771/4885CHRNB2 2379/4885CHRNB4 3068/4885

“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.