SCHEMBL2655558

SCHEMBL2655558

COCC(C)Oc1ccc(N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GCK P35557 5/20 0.36
ABL1 P00519 2/20 0.36
MCHR1 Q99705 1/20 0.35
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2656322 0.81 CYP1A2 (0.43) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL13876611 0.77 MAOB (0.40) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL2657748 0.77 MAPT (0.43) CYP1A2GCKABL1ALDH1A1
SCHEMBL404674 0.76 ALDH1A1 (0.52) CYP3A4MAPK1KDM4EUSP2ALDH1A1
SCHEMBL1935067 0.72 TDP1 (0.48) CYP3A4TSHRMAPK1GCKABL1
SCHEMBL9072621 0.72 TSHR (0.45) CYP1A2TSHRKDM4EALDH1A1
SCHEMBL10187145 0.72 MAPT (0.48) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL5073657 0.71 NR4A1 (0.54) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL1334214 0.71 CYP1A2 (0.39) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL11796509 0.71 MEN1 (0.54) 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
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CYP1A2 2010/4885CYP3A4 723/4885TSHR 3425/4885

“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.