SCHEMBL17619611

SCHEMBL17619611

CC(C)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.50
ALDH1A1 P00352 9/20 0.48
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 7/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
HTT P42858 2/20 0.47
STAT1 P42224 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL2683566 0.84 KDR (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL10103967 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL10103714 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL15283557 0.82 PIK3CD (0.49) ALDH1A1MEN1KDM4EMAPT
SCHEMBL23986238 0.80 RAB9A (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL11540184 0.80 P2RY6 (0.62) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL23403004 0.79 MAPT (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL22659232 0.78 PDE1A (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL15048580 0.78 KDM4E (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL17279863 0.77 P2RY6 (0.56) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A

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-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
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 2746/4885ALDH1A1 1707/4885RAB9A 1803/4885

“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.