SCHEMBL839536

SCHEMBL839536

CO[C@H](C)COC[C@H](O)C(=O)Nc1cnc(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GCK P35557 10/20 0.37
KCNH2 Q12809 6/20 0.37
IDO1 P14902 2/20 0.35
ABL1 P00519 2/20 0.35
CHEK1 O14757 2/20 0.35
GRM5 P41594 2/20 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
SCHEMBL839537 1.00 NOTUM (0.40) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839100 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839101 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839058 0.84 NOTUM (0.45) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839059 0.84 NOTUM (0.45) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839154 0.82 GCK (0.43) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839825 0.82 GCK (0.43) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL839153 0.82 GCK (0.43) NOTUMGCKKCNH2IDO1ABL1
SCHEMBL1848972 0.82 NOTUM (0.38) NOTUMGCKKCNH2IDO1
SCHEMBL838003 0.82 GCK (0.45) NOTUMGCKKCNH2IDO1ABL1

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 NOTUM 1194/4885GCK 1/4885KCNH2 1438/4885

“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.