SCHEMBL9108714

SCHEMBL9108714

O=C1C(=O)N(C(CC2CCCC2)C(=O)Nc2cnccn2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.58
CDK5 Q00535 4/20 0.47
CDK5R1 Q15078 4/20 0.47
KCNH2 Q12809 1/20 0.47
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL9908076 1.00 GCK (0.58) GCKCDK5CDK5R1KCNH2GAA
SCHEMBL9106658 0.90 GCK (0.57) GCKCDK5CDK5R1GAA
SCHEMBL9106877 0.88 GCK (0.56) GCKCDK5CDK5R1KCNH2
SCHEMBL9108866 0.88 GCK (0.56) GCKKCNH2
SCHEMBL9908094 0.88 GCK (0.56) GCKCDK5CDK5R1KCNH2
SCHEMBL9908100 0.88 GCK (0.56) GCKKCNH2
SCHEMBL9104601 0.88 GCK (0.56) GCKCDK5CDK5R1KCNH2
SCHEMBL9908108 0.88 GCK (0.56) GCKCDK5CDK5R1KCNH2
SCHEMBL9103645 0.87 GCK (0.57) GCKCDK5CDK5R1KCNH2
SCHEMBL9908119 0.87 GCK (0.57) GCKCDK5CDK5R1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US claimed
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT GCK 488/4885CDK5 992/4885CDK5R1 1455/4885

“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.