SCHEMBL14322397

SCHEMBL14322397

CN(C)C(=O)C1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
NOTUM Q6P988 6/20 0.40
EED O75530 1/20 0.38
CYP46A1 Q9Y6A2 6/20 0.38
RORC P51449 1/20 0.37
ACKR3 P25106 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
AKT1 P31749 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ROCK1 Q13464 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
SCHEMBL14321596 0.93 NOTUM (0.48) PDK2NOTUMEEDCYP46A1
SCHEMBL14167596 0.86 PDK2 (0.45) PDK2NOTUMEEDCYP46A1RORC
SCHEMBL14322213 0.83 NPY5R (0.42) FFAR4AKT1LPLLIPG
SCHEMBL30814862 0.83 NPY5R (0.42) FFAR4AKT1LPLLIPG
SCHEMBL13420961 0.83 NOTUM (0.60) NOTUM
SCHEMBL2190473 0.82 LPL (0.39) EEDLPLLIPG
SCHEMBL22290809 0.82 LIPG (0.40) NOTUMFFAR4LPLLIPGROCK1
SCHEMBL14321795 0.81 SMN1; SMN2 (0.43) NOTUMACKR3
SCHEMBL15579191 0.81 LGMN (0.55) PDK2
SCHEMBL14321809 0.81 SCN9A (0.38) PDK2NOTUMLPLLIPGROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
EP-2723741-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2014-04-30 EP disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 US disclosed
US-8609688-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-12-17 US disclosed
WO-2012177844-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE, INC. (US) 2012-12-27 WO disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 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 (2 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-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 PDK2 1038/4885NOTUM 3885/4885EED 505/4885
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 PDK2 1038/4885NOTUM 3885/4885EED 505/4885

“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.