SCHEMBL3259682

SCHEMBL3259682

COC(=O)c1cc2ccncc2nc1-c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
AXL P30530 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
OPRK1 P41145 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
CHEK2 O96017 1/20 0.37
GRM1 Q13255 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL4741387 0.81 GPBAR1 (0.57) AXLKDM4ENR4A2GPBAR1PDGFRB
SCHEMBL4742362 0.81 KDM4E (0.45) AXLKDM4ENR4A2GAAOPRK1
SCHEMBL4741381 0.77 ELANE (0.45) AXLKDM4ENR4A2ALDH1A1GPBAR1
SCHEMBL4460248 0.75 KDM4E (0.50) AXLKDM4EALDH1A1GLAGAA
SCHEMBL3263651 0.74 KDM4E (0.49) CSNK2A2CSNK2BAXLKDM4ENR4A2
SCHEMBL22717316 0.74 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAA
SCHEMBL3262648 0.74 CSNK2A2 (0.46) CSNK2A2CSNK2BGPBAR1PDGFRBPDGFRA
SCHEMBL3262682 0.74 CSNK2A2 (0.46) CSNK2A2CSNK2BGPBAR1PDGFRBPDGFRA
SCHEMBL1177963 0.71 CHEK2 (0.52) KDM4EALDH1A1PDGFRBPDGFRACHEK2
SCHEMBL23043865 0.70 KDM4E (0.57) AXLKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010016846-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-02-11 WO disclosed
WO-2010016846-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-02-11 WO disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 US disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 US disclosed
US-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-02-26 US 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-20090054304-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPBAR1, GPR119, PLAAT5 CSNK2A2 2885/4885CSNK2B 3273/4885AXL 3955/4885

“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.