SCHEMBL1031211

SCHEMBL1031211

O=C(Nc1ccccn1)c1cccc2ncc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
ALDH1A1 P00352 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CNR2 P34972 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1077022 0.89 MPL (0.51) PARP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1032829 0.86 CHRNB2 (0.61) PARP1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1033871 0.86 FGFR4 (0.51) PARP1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1034316 0.86 ALDH1A1 (0.47) PARP1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1034424 0.83 CSF1R (0.52) PARP1NPSR1CA12CA1CA2
SCHEMBL1035300 0.83 LMNA (0.51) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL1034456 0.81 FGFR4 (0.48) PARP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1033372 0.81 PARP1 (0.62) PARP1ALDH1A1PIK3CDPIK3CAPIK3CG
SCHEMBL4547977 0.78 TLR7 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4547973 0.78 ALDH1A1 (0.47) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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 PARP1 183/4885ALDH1A1 2326/4885CHRNB2 2379/4885

“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.