SCHEMBL191746

SCHEMBL191746

Clc1cc(Sc2cccc(Cl)c2Cl)ccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GRM5 P41594 1/20 0.38
PTPN11 Q06124 7/20 0.37
AURKA O14965 1/20 0.36
GSK3B P49841 1/20 0.36
AURKB Q96GD4 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR3A P46098 1/20 0.35
AKT1 P31749 1/20 0.35
NOTUM Q6P988 1/20 0.35
DYRK1A Q13627 1/20 0.35
TRPA1 O75762 1/20 0.34
ITGAL P20701 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
SCHEMBL191204 0.86 HPGD (0.44) ALDH1A1GRM5HPGDTRPA1
SCHEMBL190493 0.81 ALDH1A1 (0.57) ALDH1A1GRM5AURKAGSK3BHPGD
SCHEMBL190818 0.78 SIRT2 (0.44) ALDH1A1GRM5CYP1A2CYP3A4TRPA1
SCHEMBL191123 0.77 AR (0.41) ALDH1A1GRM5HPGDTRPA1
SCHEMBL190886 0.74 ALDH1A1 (0.53) ALDH1A1GRM5HPGDCYP1A2CYP3A4
SCHEMBL9812315 0.73 CYP1A2 (0.51) PTPN11CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL31438320 0.73 CYP1A2 (0.51) PTPN11CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL192450 0.73 AR (0.39) GRM5NOTUMTRPA1ITGAL
SCHEMBL191108 0.73 ITGB2 (0.39) GRM5HPGDTRPA1ITGAL
SCHEMBL191141 0.73 TRPA1 (0.47) ALDH1A1GRM5HPGDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 1869/4885GRM5 1123/4885PTPN11 2733/4885

“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.