SCHEMBL2656052

SCHEMBL2656052

CC(C)Sc1ccc(N)c(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.57
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAOB P27338 8/20 0.42
MAOA P21397 7/20 0.42
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 3/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6831166 0.79 MAPT (0.40) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL2658537 0.78 MAOB (0.54) ARCYP1A2CYP3A4TSHRMAPK1
SCHEMBL2657481 0.76 MAPT (0.56) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL15716156 0.75 MAOB (0.46) ARCYP1A2CYP3A4TSHRMAPK1
SCHEMBL1020454 0.75 AR (0.61) ARMAOBMAOAMCL1
SCHEMBL14331571 0.73 AR (0.50) ARTSHRMAOBMAOAMCL1
SCHEMBL9072618 0.72 AR (0.43) ARCYP1A2CYP3A4TSHRMAPK1
SCHEMBL13748048 0.72 AR (0.49) ARMAOBMAOAMCL1
SCHEMBL10413694 0.72 CA12 (0.38) ARCYP1A2CYP3A4TSHRMAOA
SCHEMBL2418298 0.72 ADRB2 (0.58) CYP1A2CYP3A4TSHRMAPK1ADRB2

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
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
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP 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 AR 1328/4885CYP1A2 1710/4885CYP3A4 626/4885

“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.