SCHEMBL18151689

SCHEMBL18151689

Cc1n[nH]c(C)c1-c1cccc(C#N)c1-c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
GRM5 P41594 2/20 0.39
UCHL1 P09936 2/20 0.37
LRRK2 Q5S007 4/20 0.36
CHEK1 O14757 2/20 0.36
AKT2 P31751 1/20 0.36
CDK2 P24941 2/20 0.35
GSK3B P49841 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
INSR P06213 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL17065178 0.80 GRM5 (0.49) GRM5UCHL1CDK2GSK3BCDK5
SCHEMBL18151573 0.80 GRM5 (0.42) SCN9AGRM5UCHL1GSK3BNISCH
SCHEMBL16797343 0.78 LRRK2 (0.44) SCN9AGRM5UCHL1LRRK2GSK3B
SCHEMBL111483 0.77 CHEK1 (0.51) SCN9AGRM5UCHL1CHEK1AKT2
SCHEMBL18151571 0.76 GRM5 (0.41) GRM5UCHL1GSK3BNISCHCYP2D6
SCHEMBL16797340 0.74 GRM5 (0.42) SCN9AGRM5UCHL1LRRK2GSK3B
SCHEMBL18151348 0.73 GRM5 (0.43) SCN9AGRM5UCHL1GSK3BCYP2D6
SCHEMBL30401803 0.72 GRM5 (0.40) GRM5UCHL1LRRK2CDK2GSK3B
SCHEMBL18150869 0.72 GRM5 (0.42) SCN9AGRM5UCHL1CHEK1AKT2
SCHEMBL18151688 0.71 MAP4K4 (0.44) SCN9AGRM5UCHL1LRRK2GSK3B

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 SCN9A 4020/4885GRM5 2262/4885UCHL1 213/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A SCN9A 4020/4885GRM5 2262/4885UCHL1 213/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A SCN9A 4020/4885GRM5 2262/4885UCHL1 213/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A SCN9A 4020/4885GRM5 2262/4885UCHL1 213/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A SCN9A 4020/4885GRM5 2262/4885UCHL1 213/4885

“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.