SCHEMBL17610399

SCHEMBL17610399

COc1ccc(-n2nc(C)c(N)c2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 1/20 0.61
PDE4D Q08499 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.49
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMO Q99835 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
OPRM1 P35372 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 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
SCHEMBL1804029 0.86 LMNA (0.61) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL12808005 0.83 LMNA (0.58) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL23558009 0.83 SMN1; SMN2 (0.65) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL20037041 0.82 SMN1; SMN2 (0.72) SMN1; SMN2LMNAPDE4DNPC1RAB9A
Water SCHEMBL11654225 0.80 SMN1; SMN2 (0.70) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL23398862 0.79 PDE4D (0.57) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL11700016 0.79 LMNA (0.61) SMN1; SMN2LMNAPDE4DNPC1RAB9A
SCHEMBL11652228 0.79 SMN1; SMN2 (0.68) SMN1; SMN2LMNANPC1RAB9APTGS2
SCHEMBL6966371 0.78 SMN1; SMN2 (1.00) SMN1; SMN2LMNAPDE4DNPC1RAB9A
Water SCHEMBL11653913 0.77 SMN1; SMN2 (0.66) SMN1; SMN2LMNANPC1RAB9APOLB

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
WO-2021123294-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 WO disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 SMN1; SMN2 2746/4885LMNA 2766/4885PDE4D 733/4885

“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.