SCHEMBL4101694

SCHEMBL4101694

Cc1cccc(-c2cc(CO)no2)c1.Cc1cccc(-c2cc(COS(C)(=O)=O)no2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39

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
SCHEMBL4048480 0.94 MEN1 (0.39) NOTUMHSP90AA1HSP90AB1TP53HSD17B13
SCHEMBL2900829 0.85 NOTUM (0.68) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL1222427 0.81 NOTUM (0.54) NOTUMHSP90AA1HSP90AB1PPARACYP1A2
SCHEMBL8231067 0.81 PTPN1 (0.40) NOTUMMAP4K4HSP90AA1HSP90AB1HSD17B13
SCHEMBL1544031 0.81 TP53 (0.47) TP53THRBCYP1A2CYP2D6CYP2C9
SCHEMBL2535956 0.80 MEN1 (0.47) NOTUMHSP90AA1HSP90AB1TP53CYP1A2
SCHEMBL4049004 0.78 TP53 (0.43) FLT1KDRCLK4HSP90AA1HSP90AB1
SCHEMBL30948143 0.76 SCD (0.41) NOTUMHSP90AA1HSP90AB1TP53LMNA
SCHEMBL5733016 0.75 ALDH1A1 (0.49) TP53THRBCYP1A2CYP2D6CYP2C9
SCHEMBL4101696 0.74 GRM5 (0.38) NOTUMTP53HSD17B13LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NOTUM 2822/4885CHEK1 4588/4885AURKA 2917/4885

“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.