SCHEMBL3510673

SCHEMBL3510673

Oc1ccnc(N2CCC(O)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
CDK2 P24941 2/20 0.46
DYRK1A Q13627 8/20 0.40
PDE10A Q9Y233 2/20 0.40
IDH2 P48735 1/20 0.40
SMO Q99835 1/20 0.39
AOC3 Q16853 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL3674556 0.85 ACACB (0.41) CDK1CDK2DYRK1AAOC3SUV39H2
SCHEMBL15650136 0.84 CDK1 (0.47) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL3511418 0.84 SMO (0.42) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL31402767 0.84 SMO (0.42) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL15650137 0.84 CDK1 (0.47) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL31402759 0.84 SMO (0.42) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL2559029 0.81 CDK1 (0.43) CDK1CDK2DYRK1APDE10AIDH2
SCHEMBL5485755 0.80 KDM4E (0.53) PDE10AIDH2SMOAOC3
SCHEMBL30743834 0.80 KDM4E (0.53) PDE10AIDH2SMOAOC3
SCHEMBL31402788 0.80 CDK1 (0.39) CDK1CDK2DYRK1APDE10AIDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CDK1 58/4885CDK2 106/4885DYRK1A 120/4885

“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.