SCHEMBL901529

SCHEMBL901529

CC1(C)OB(c2cccc(N3CCC(NC(=O)O)CC3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.41
NOTUM Q6P988 1/20 0.39
EPHX2 P34913 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ME3 Q16798 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
VCP P55072 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
SCHEMBL14321881 0.91 DRD2 (0.42) NPY5RUSP30MTNR1AMTNR1BDRD2
SCHEMBL14328872 0.89 NPY5R (0.41) NPY5REPHX2USP30MTNR1AMTNR1B
SCHEMBL14322325 0.85 PKM (0.45) NPY5RMTNR1AMTNR1BME3SMN1; SMN2
SCHEMBL14328869 0.85 USP30 (0.46) USP30DRD2DRD3
SCHEMBL22290809 0.82 LIPG (0.40) NOTUMFFAR4SMN1; SMN2
SCHEMBL13420961 0.81 NOTUM (0.60) NOTUM
SCHEMBL27312501 0.80 LPL (0.41) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL3374553 0.80 NOTUM (0.46) NOTUMMTNR1AMTNR1BSMN1; SMN2MEN1
SCHEMBL14905664 0.80 EPHX2 (0.43) NOTUMEPHX2SMN1; SMN2MEN1MAPT
SCHEMBL901893 0.80 USP2 (0.42) SMN1; SMN2MEN1MAPTHTTKMT2A

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 7 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-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
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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 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 (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 NPY5R 1824/4885NOTUM 3885/4885EPHX2 3742/4885
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NPY5R 1824/4885NOTUM 3885/4885EPHX2 3742/4885

“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.