SCHEMBL18151247

SCHEMBL18151247

N#Cc1cccc(-c2ccncn2)c1-c1ccc2cn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
FGFR1 P11362 6/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
CLK4 Q9HAZ1 2/20 0.40
DCLK1 O15075 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
PRKACA P17612 1/20 0.40
FLT3 P36888 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3B P49841 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
SLK Q9H2G2 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
FGFR2 P21802 3/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL18151250 0.93 TRPA1 (0.51) TRPA1FGFR1PIK3CDPIK3CBCLK4
SCHEMBL18151458 0.82 GRM5 (0.39) TRPA1CLK4DCLK1PRKD3MAP4K4
SCHEMBL18151684 0.79 GRM5 (0.40) TRPA1CLK4DCLK1PRKD3MAP4K4
SCHEMBL18150868 0.78 GRM5 (0.41) TRPA1PIK3CDPIK3CBCLK4DCLK1
SCHEMBL1318366 0.77 FGFR1 (0.55) FGFR1PIK3CDPIK3CBCLK4DCLK1
SCHEMBL17065178 0.77 GRM5 (0.49) GSK3BGRM5CDK2DYRK1AADORA2B
SCHEMBL18151574 0.77 MAP4K4 (0.39) TRPA1PIK3CDMAP4K4EGFRFRK
SCHEMBL18151459 0.77 GRM5 (0.40) TRPA1CLK4DCLK1PRKD3MAP4K4
SCHEMBL28200925 0.76 FGFR1 (0.54) FGFR1PIK3CDPIK3CBCLK4DCLK1
SCHEMBL18151289 0.76 TRPA1 (0.42) TRPA1GSK3BGRM5

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-10385051-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2019-02-21 US disclosed
US-10131664-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-20 US disclosed
US-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-06-28 US disclosed
US-9944636-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-17 US disclosed
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. 2016-10-20 US 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 (5 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-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885FGFR1 3445/4885PIK3CD 2148/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885FGFR1 3445/4885PIK3CD 2148/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885FGFR1 3445/4885PIK3CD 2148/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885FGFR1 3445/4885PIK3CD 2148/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885FGFR1 3445/4885PIK3CD 2148/4885

“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.