SCHEMBL2656963

SCHEMBL2656963

Cn1ccc(Nc2ccc(OC3CCCC3)cn2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
HSF1 Q00613 1/20 0.42
TBK1 Q9UHD2 3/20 0.40
IKBKE Q14164 2/20 0.40
ABL1 P00519 3/20 0.38
GCK P35557 2/20 0.38
CSF1R P07333 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
ACACB O00763 2/20 0.36
GRM5 P41594 2/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
IGF1R P08069 1/20 0.35

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
SCHEMBL2657070 0.79 HPGDS (0.45) GCKLRRK2GRM5IGF1R
SCHEMBL2657982 0.75 CYP19A1 (0.47) CCNE1CDK2HSF1GCKLRRK2
SCHEMBL2669643 0.74 CYP19A1 (0.40) CCNE1CDK2HSF1GCKLRRK2
SCHEMBL2657999 0.74 MAPK1 (0.38) ABL1GCKLRRK2JMJD6
SCHEMBL2657661 0.72 TBK1 (0.43) CCNE1CDK2TBK1IKBKEGCK
SCHEMBL2658986 0.72 P4HTM (0.44) GCK
SCHEMBL30000385 0.70 CDK6 (0.40) CCNE1CDK2HSF1ABL1CSF1R
SCHEMBL22583419 0.70 CDK6 (0.40) CCNE1CDK2HSF1ABL1CSF1R
SCHEMBL15688182 0.70 LRRK2 (0.44) GCKLRRK2GRM5IGF1R
SCHEMBL14839422 0.70 ALDH1A1 (0.41) GCKLRRK2

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
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
EP-2195312-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-06-16 EP disclosed
WO-2009046784-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
WO-2009046784-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS HK1, GCKR, GCK CCNE1 1344/4885CDK2 810/4885HSF1 1153/4885

“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.