SCHEMBL839101

SCHEMBL839101

CCOCC(O)C(=O)Nc1cnc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.45
KCNH2 Q12809 3/20 0.45
NOTUM Q6P988 1/20 0.43
IDO1 P14902 3/20 0.37
CHEK1 O14757 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL839100 1.00 GCK (0.45) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL839058 0.86 NOTUM (0.45) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL839059 0.86 NOTUM (0.45) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL839537 0.84 NOTUM (0.40) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL839536 0.84 NOTUM (0.40) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL838004 0.83 GCK (0.45) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL838003 0.83 GCK (0.45) GCKKCNH2NOTUMIDO1CHEK1
SCHEMBL838720 0.82 RAB9A (0.53) GCKKCNH2KDM4EMAPTHPGD
SCHEMBL839483 0.82 RAB9A (0.53) GCKKCNH2KDM4EMAPTHPGD
SCHEMBL839153 0.79 GCK (0.43) GCKKCNH2NOTUMIDO1CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 GCK 1/4885KCNH2 1438/4885NOTUM 1194/4885

“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.