SCHEMBL1034684

SCHEMBL1034684

O=C(Nc1cccnc1)c1cccc2cnc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.56
KIT P10721 1/20 0.56
KDR P35968 1/20 0.56
MAPK14 Q16539 1/20 0.56
BRAF P15056 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.54
RXFP1 Q9HBX9 2/20 0.54
LRRK2 Q5S007 2/20 0.49
EPHX2 P34913 2/20 0.49
MAPT P10636 1/20 0.48
SRPK3 Q9UPE1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
PIKFYVE Q9Y2I7 2/20 0.46
EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL1035431 0.86 EGLN1 (0.54) MEN1KMT2ATSHRMAPTSIRT2
SCHEMBL1032356 0.85 CSF1R (0.54) CSF1RKITKDRMAPK14BRAF
SCHEMBL1035413 0.83 MPL (0.49) MEN1KMT2ATSHRRXFP1
SCHEMBL1034456 0.83 FGFR4 (0.48) MAPK14MEN1KMT2ATSHRMAPT
SCHEMBL1034424 0.82 CSF1R (0.52) CSF1RKITKDRMAPK14BRAF
SCHEMBL1035120 0.82 SIRT2 (0.48) KDRMEN1KMT2AMAPTSIRT2
SCHEMBL1035109 0.80 PARP1 (0.54) MEN1KMT2A
SCHEMBL4547976 0.80 MEN1 (0.57) CSF1RKITKDRMAPK14BRAF
SCHEMBL12673186 0.80 PARP1 (0.63) CSF1RKITKDRMAPK14BRAF
SCHEMBL1034583 0.78 CYP1A2 (0.50) MEN1KMT2AMAPT

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 CSF1R 995/4885KIT 2952/4885KDR 1845/4885

“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.