SCHEMBL2668166

SCHEMBL2668166

N#Cc1cc(-c2ncccc2C#N)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
PDE10A Q9Y233 1/20 0.46
HDAC1 Q13547 1/20 0.45
CYP11B2 P19099 2/20 0.44
GRM4 Q14833 1/20 0.44
FLT3 P36888 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 1/20 0.43
PIK3CD O00329 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 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
SCHEMBL3295664 0.90 CNR2 (0.47) CNR2PDE10AHDAC1CYP11B2GABRA1
SCHEMBL2656820 0.86 CYP11B2 (0.51) CNR2PDE10ACYP11B2GRM4FLT3
SCHEMBL2656704 0.86 SQOR (0.47) CNR2PDE10ACYP11B2GRM4FLT3
SCHEMBL10094499 0.83 PIK3CD (0.46) CNR2PDE10ACYP11B2GRM4FLT3
SCHEMBL21283226 0.81 CNR2 (0.50) CNR2HDAC1CYP11B2TRPV1KDM4E
SCHEMBL1514336 0.81 CLK4 (0.51) CNR2PDE10ACYP11B2GRM4FLT3
SCHEMBL3290050 0.81 ADORA2B (0.48) CNR2HDAC1CYP11B2GABRG2GABRB3
SCHEMBL15638335 0.81 CYP11B2 (0.46) PDE10ACYP11B2GRM4FLT3GABRA1
SCHEMBL15637898 0.81 CYP11B2 (0.59) CNR2PDE10ACYP11B2GRM4FLT3
SCHEMBL2668140 0.80 PDE10A (0.44) PDE10ACYP11B2GRM4FLT3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK CNR2 786/4885PDE10A 3601/4885HDAC1 238/4885

“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.