SCHEMBL1035430

SCHEMBL1035430

O=C(NCc1ccncc1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.55
SORT1 Q99523 2/20 0.53
EPHB4 P54760 3/20 0.49
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PSMD14 O00487 2/20 0.45
STAMBP O95630 2/20 0.45
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
PDPK1 O15530 1/20 0.43
KMO O15229 1/20 0.43
VNN1 O95497 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
SCHEMBL1033492 0.89 SORT1 (0.57) SORT1HTTSMN1; SMN2PSMD14STAMBP
SCHEMBL1034072 0.85 JAK2 (0.51) ABL1EGFRCSF1RPDGFRBKIT
SCHEMBL1034688 0.84 SORT1 (0.57) SORT1HTTPSMD14STAMBP
SCHEMBL12673316 0.80 PARP1 (0.63) ELANESORT1ABL1EGFRCSF1R
SCHEMBL1034305 0.79 KMO (0.49) SORT1KMOCNR2
SCHEMBL1035234 0.79 MPL (0.52) SORT1KMOCNR2
SCHEMBL1034065 0.78 RXFP1 (0.53) HTTMAPK1
SCHEMBL1035363 0.78 KMO (0.57) SMN1; SMN2KMOCYP1A2CYP2C9
SCHEMBL1032356 0.78 CSF1R (0.54) ABL1CSF1RKITKDRSMN1; SMN2
SCHEMBL1034603 0.77 ALOX15 (0.59) FLT4KDRSMN1; SMN2KMOGSK3B

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 ELANE 3204/4885SORT1 4643/4885EPHB4 4861/4885

“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.