SCHEMBL190876

SCHEMBL190876

COc1cccc(Sc2ccnc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
IDO1 P14902 1/20 0.45
ROCK1 Q13464 3/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.41
PRKACA P17612 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
NOTUM Q6P988 1/20 0.40
GRM4 Q14833 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
SCHEMBL3164341 0.81 ACHE (0.54) PTGIRIDO1ABCG2DHFRALDH1A1
SCHEMBL31425668 0.81 ACHE (0.54) PTGIRIDO1ABCG2DHFRALDH1A1
SCHEMBL190164 0.80 CA12 (0.35) PTGIRIDO1ROCK1ROCK2MEN1
SCHEMBL27663257 0.80 PTGIR (0.52) PTGIRIDO1MEN1KMT2ADYRK1A
SCHEMBL6109758 0.80 KCNQ3 (0.47) PTGIRIDO1MEN1KMT2AABCG2
SCHEMBL24433577 0.79 ACHE (0.52) PTGIRIDO1ABCG2DHFRALDH1A1
SCHEMBL7667440 0.79 IDO1 (0.46) PTGIRIDO1ROCK1MEN1KMT2A
SCHEMBL17930597 0.79 DYRK1A (0.59) ROCK1ROCK2DYRK1ACLK4CYP3A4
SCHEMBL190886 0.78 ALDH1A1 (0.53) MEN1KMT2ADHFRALDH1A1CYP3A4
SCHEMBL191141 0.78 TRPA1 (0.47) IDO1MEN1KMT2AALDH1A1

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 PTGIR 2214/4885IDO1 4132/4885ROCK1 2746/4885

“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.