SCHEMBL17619451

SCHEMBL17619451

CN(C)CCn1cc(-c2ccccc2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTR7 P34969 3/20 0.40
PTGIR P43119 1/20 0.39
CALCA P06881 1/20 0.38
TLR8 Q9NR97 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
ADORA2A P29274 1/20 0.37
ESRRG P62508 1/20 0.36
LSS P48449 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL17619688 0.93 PTGIR (0.41) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL1386926 0.82 PTGIR (0.42) MAPTSMN1; SMN2LMNAALDH1A1HTR7
Hydrochloric Acid SCHEMBL2580812 0.81 ESRRG (0.43) MAPTSMN1; SMN2LMNAALDH1A1HTR7
SCHEMBL26076491 0.77 MEN1 (0.38) MAPTNPC1RAB9AHTR7PTGIR
SCHEMBL17619532 0.76 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAALDH1A1NPC1
Fezolamine SCHEMBL5783220 0.76 PTGIR (0.58) HTR7PTGIRLSSKDM4EBRAF
Fezolamine SCHEMBL121816 0.76 PTGIR (0.58) HTR7PTGIRLSSKDM4EBRAF
SCHEMBL17619487 0.75 FGFR1 (0.46) ALDH1A1NPC1RAB9AADORA1ADORA2A
SCHEMBL1385049 0.75 PDE10A (0.43) HTR7LSSKDM4EADRB2ADRB1
SCHEMBL8629705 0.75 PTGIR (0.43) HTR7PTGIRKDM4EBRAFMAPK3

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 MAPT 4400/4885SMN1; SMN2 2746/4885LMNA 2766/4885

“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.