SCHEMBL901845

SCHEMBL901845

CC(C)(C)N(C(=O)O)C1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.50
NOTUM Q6P988 5/20 0.40
GPR119 Q8TDV5 3/20 0.40
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 1/20 0.36

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
SCHEMBL14321789 0.83 NPY5R (0.61) NPY5RNOTUMTRPV1ADAMTS5
SCHEMBL902233 0.80 NOTUM (0.35) NPY5RNOTUMGPR119HSD17B10SMN1; SMN2
SCHEMBL14905667 0.79 NPY5R (0.53) NPY5RNOTUMOPRD1
SCHEMBL14321771 0.78 NPY5R (0.61) NPY5RTRPV1ADAMTS5
SCHEMBL2524532 0.78 EPHX2 (0.45) NPY5RNOTUMGPR119ADAMTS5
SCHEMBL19701819 0.77 NPY5R (0.55) NPY5RGPR119
SCHEMBL22499989 0.77 NOTUM (0.63) NOTUMLMNAMAPTALDH1A1GAA
SCHEMBL22499991 0.77 NOTUM (0.63) NOTUMLMNAMAPTALDH1A1GAA
SCHEMBL2174889 0.77 NPY5R (0.53) NPY5RALDH1A1
SCHEMBL3754728 0.76 GFER (0.50) NPY5RNOTUMGPR119LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609688-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-12-17 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP 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-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NPY5R 1824/4885NOTUM 3885/4885GPR119 700/4885

“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.