SCHEMBL2668085

SCHEMBL2668085

Cc1csc(Nc2cc(Sc3cccc(C(=O)N4CCN(C)CC4)c3)ccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.52
ITK Q08881 6/20 0.51
GCK P35557 2/20 0.47
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
CDK2 P24941 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK1 P06493 2/20 0.40
CDK6 Q00534 1/20 0.40
PRKCI P41743 1/20 0.40
FASN P49327 1/20 0.40
WNK1 Q9H4A3 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39

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
Hydrochloric Acid SCHEMBL191428 0.99 NTRK1 (0.51) NTRK1ITKGCKCCNT1CDK9
SCHEMBL190810 0.83 GAA (0.50) GCKKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL190696 0.83 GAA (0.49) GCKKDM4EL3MBTL1
SCHEMBL192053 0.82 GCK (0.47) GCKKDM4E
SCHEMBL10269559 0.77 GPR52 (0.49) NTRK1ITKCCNT1CDK9CDK2
SCHEMBL12305684 0.77 GCK (0.52) GCK
SCHEMBL190679 0.77 GCK (0.49) GCKKDM4E
SCHEMBL190694 0.77 GCK (0.54) GCKKDM4E
Hydrochloric Acid SCHEMBL191500 0.76 GCK (0.52) GCK
SCHEMBL2667984 0.76 GCK (0.48) GCKCCNT1CDK9CDK2CCNE1

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-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
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 NTRK1 4489/4885ITK 2278/4885GCK 2/4885

“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.