SCHEMBL9104481

SCHEMBL9104481

O=C1C(=O)N(C(CC2CCCC2)C(=O)Nc2ccccn2)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.55
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CDK1 P06493 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KCNMA1 Q12791 1/20 0.40

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
SCHEMBL9908106 1.00 GCK (0.55) GCKS1PR1S1PR3CDK1GSK3A
SCHEMBL9107581 0.93 GCK (0.55) GCKS1PR1S1PR3CDK1GSK3A
SCHEMBL9105268 0.89 GCK (0.55) GCKCDK1GSK3AGSK3BCDK5
SCHEMBL9106408 0.89 GCK (0.57) GCK
SCHEMBL9106658 0.89 GCK (0.57) GCKCDK1GSK3AGSK3BCDK5
SCHEMBL9908108 0.89 GCK (0.56) GCKCDK5CDK5R1
SCHEMBL9106877 0.89 GCK (0.56) GCKCDK5CDK5R1
SCHEMBL9108287 0.87 GCK (0.55) GCK
SCHEMBL9106819 0.85 GCK (0.51) GCK
SCHEMBL9108882 0.84 GCK (0.51) GCKS1PR1S1PR3KCNMA1

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 488/4885S1PR1 3902/4885S1PR3 3734/4885

“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.