SCHEMBL9958324

SCHEMBL9958324

NC(=O)c1nsc2cc(Br)c(F)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
PLK4 O00444 2/20 0.33
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
CHEK2 O96017 2/20 0.33
CDK1 P06493 2/20 0.33
PIM1 P11309 2/20 0.33
FGFR1 P11362 2/20 0.33
PRKACA P17612 2/20 0.33
FGFR3 P22607 2/20 0.33
RPS6KB1 P23443 2/20 0.33
CDK2 P24941 2/20 0.33
MARK3 P27448 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
CSNK1D P48730 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33

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
SCHEMBL9956920 0.86 EGLN1 (0.33) IDO1KDM4ENPC1MAPTRAB9A
SCHEMBL9957616 0.81 MAPT (0.38) PTPN2KDM4EMAPT
SCHEMBL280594 0.74 PLG (0.39) DGAT1DAPK3CDK1PIM1PRKACA
SCHEMBL4777702 0.74 DGAT1 (0.39) DGAT1DAPK3CDK1PIM1PRKACA
SCHEMBL31028460 0.74 DYRK1A (0.38) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL24898414 0.74 BCKDK (0.40) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL20529391 0.71 KDM4E (0.31) KDM4EMAPT
SCHEMBL12713955 0.69 LRRK2 (0.50) DYRK1ANPC1MAPTRAB9A
SCHEMBL9957882 0.69 IDO1 (0.33) DGAT1IDO1KDM4ENPC1MAPT
SCHEMBL23088340 0.68 ALDH1A1 (0.40) KDM4EMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-12-12 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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 (2 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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 DGAT1 571/4885PLK4 4327/4885AURKA 2891/4885
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 DGAT1 598/4885PLK4 4471/4885AURKA 3076/4885

“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.