SCHEMBL192164

SCHEMBL192164

Cc1csc(Nc2cc(OC3CCCNC3)ccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.48
ROCK2 O75116 2/20 0.48
KCNH2 Q12809 1/20 0.48
TRPV4 Q9HBA0 2/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHEK1 O14757 2/20 0.41
GRM5 P41594 3/20 0.40
PRKX P51817 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
MAP3K12 Q12852 1/20 0.39
PRKCZ Q05513 2/20 0.38
NR2F2 P24468 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2461325 0.91 ROCK1 (0.41) ROCK1ROCK2KCNH2TRPV4CHEK1
SCHEMBL192005 0.87 TRPV4 (0.47) ROCK1TRPV4GRM5MAP3K12NR2F2
SCHEMBL190625 0.87 GRM5 (0.51) TRPV4GRM5
SCHEMBL2658979 0.79 TRPV4 (0.40) TRPV4GRM5MAP3K12
SCHEMBL191227 0.79 TRPV4 (0.43) TRPV4GRM5NR2F2
SCHEMBL191226 0.79 TRPV4 (0.43) TRPV4GRM5NR2F2
Trifluoroacetic Acid SCHEMBL190215 0.79 SYK (0.47) ROCK1TRPV4GRM5
SCHEMBL20281696 0.78 ROCK1 (0.58) ROCK1ROCK2KCNH2CHRNB2CHRNA4
SCHEMBL191004 0.76 GRM5 (0.43) TRPV4GRM5
SCHEMBL191290 0.74 TRPV4 (0.39) TRPV4

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 11 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
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-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US 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
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US 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
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 ROCK1 2746/4885ROCK2 3028/4885KCNH2 1689/4885

“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.