SCHEMBL17144752

SCHEMBL17144752

CC(C)(Cc1nnc(-c2ccccc2)o1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NOTUM Q6P988 2/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17142126 0.88 CNR2 (0.51) SMN1; SMN2HDAC8HPGDPOLBALDH1A1
SCHEMBL17144687 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NOTUMHDAC8HDAC1HDAC2
SCHEMBL14736015 0.77 PDE10A (0.52) SMN1; SMN2NOTUMMEN1KMT2AHPGD
SCHEMBL19798382 0.77 ALDH1A1 (0.61) SMN1; SMN2NOTUMMEN1KMT2AHPGD
SCHEMBL17142089 0.75 USP2 (0.52) HDAC8POLBLMNANPC1RAB9A
SCHEMBL14266632 0.74 ALDH1A1 (0.58) ALDH1A1LMNA
SCHEMBL17152916 0.72 CNR2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20289307 0.72 HIF1A (0.58) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL17144699 0.72 CNR2 (0.49) SMN1; SMN2HDAC8HDAC1HDAC2L3MBTL1
SCHEMBL18350037 0.72 CNR2 (0.47) SMN1; SMN2HDAC8HDAC1HDAC2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
EP-3126359-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2017-02-08 EP disclosed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 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-20180327396-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 SMN1; SMN2 3107/4885NOTUM 3969/4885HDAC8 2213/4885
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 SMN1; SMN2 3107/4885NOTUM 3969/4885HDAC8 2213/4885

“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.