SCHEMBL13279403

SCHEMBL13279403

COCCOC1CN(C(=O)c2ccc(N)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ PRKAA2 P54646 4/20 0.39
▸ PRKAB2 O43741 3/20 0.39
▸ PRKAG1 P54619 3/20 0.39
▸ PRKAA1 Q13131 3/20 0.39
▸ PRKAG3 Q9UGI9 3/20 0.39
▸ PRKAG2 Q9UGJ0 3/20 0.39
▸ PRKAB1 Q9Y478 3/20 0.39
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ CDK19 Q9BWU1 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CCR8 P51685 4/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ TRPC6 Q9Y210 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
SCHEMBL16131993 0.86 TDP1 (0.48) PDK2DRD3KDM5ACSF1RPDE10A
SCHEMBL13467180 0.84 CCNC (0.50) PDK2CCNCCDK8CDK19DRD3
SCHEMBL13466383 0.83 PLA2G1B (0.43) PDK2DRD3KDM5ACSF1RSCN9A
SCHEMBL3232177 0.76 IRAK4 (0.42) PDK2CCR8KCNH2KDM5ASCN9A
SCHEMBL24756487 0.74 SCN9A (0.42) PDK2CCR8KCNH2KDM5ASCN9A
SCHEMBL21485443 0.72 CHRNA4 (0.43) PDK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL15649431 0.71 SCN9A (0.44) PDK2CCR8KCNH2KDM5ASCN9A
SCHEMBL22164634 0.70 MALT1 (0.47) PDK2KDM5A
SCHEMBL22164633 0.70 MALT1 (0.47) PDK2KDM5A
SCHEMBL16131994 0.70 PDE10A (0.53) CCNCCDK8CDK19DRD3KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 PDK2 1019/4885PRKAA2 93/4885PRKAB2 50/4885

“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.

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