SCHEMBL190625

SCHEMBL190625

Cc1csc(Nc2cc(OC3CCCCC3)ccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
TRPV4 Q9HBA0 1/20 0.46
CDK4 P11802 3/20 0.45
PIK3C3 Q8NEB9 1/20 0.43
RAB9A P51151 4/20 0.42
CDK2 P24941 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CDK1 P06493 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK5 Q00535 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
KCNN1 Q92952 1/20 0.40
KCNN2 Q9H2S1 1/20 0.40

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
SCHEMBL192005 0.88 TRPV4 (0.47) GRM5TRPV4RAB9AMEN1NPC1
SCHEMBL192164 0.87 ROCK1 (0.48) GRM5TRPV4
SCHEMBL191227 0.86 TRPV4 (0.43) GRM5TRPV4RAB9AMEN1NPC1
SCHEMBL191226 0.86 TRPV4 (0.43) GRM5TRPV4RAB9AMEN1NPC1
SCHEMBL2658979 0.84 TRPV4 (0.40) GRM5TRPV4PIK3C3RAB9AMEN1
SCHEMBL191004 0.83 GRM5 (0.43) GRM5TRPV4RAB9ASYK
Trifluoroacetic Acid SCHEMBL190215 0.80 SYK (0.47) GRM5TRPV4SYK
SCHEMBL191290 0.79 TRPV4 (0.39) TRPV4RAB9AMEN1NPC1KMT2A
SCHEMBL190612 0.79 GPR119 (0.44) SYK
Trifluoroacetic Acid SCHEMBL2461325 0.79 ROCK1 (0.41) GRM5TRPV4SYK

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 9 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-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

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 GRM5 1123/4885TRPV4 4775/4885CDK4 2162/4885

“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.