SCHEMBL18151672

SCHEMBL18151672

Cc1ccccc1-c1cccc(C#N)c1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LRRK2 Q5S007 1/20 0.41
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.36
GRM5 P41594 3/20 0.36
NISCH Q9Y2I1 1/20 0.35
AR P10275 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
FLT1 P17948 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
LIMK1 P53667 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34

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
SCHEMBL2170098 0.87 TSHR (0.44) TSHRLRRK2NPC1MAPK1GRM5
SCHEMBL18151670 0.81 NPC1 (0.42) TSHRLRRK2NPC1MAPK1LMNA
SCHEMBL5539875 0.75 GRM5 (0.40) NPC1MAPK1LMNAGRM5MEN1
SCHEMBL18151671 0.74 KDM4E (0.40) TSHRMAPK1LMNAGRM5FLT1
SCHEMBL31589340 0.73 MAPK1 (0.44) NPC1MAPK1LMNACYP1A2CYP2C19
SCHEMBL2170102 0.72 NPC1 (0.46) TSHRNPC1MAPK1LMNAGRM5
SCHEMBL1472952 0.71 TSHR (0.67) TSHRLRRK2NPC1LMNAAR
SCHEMBL29563253 0.71 NPC1 (0.51) TSHRNPC1MAPK1LMNAGRM5
SCHEMBL4219748 0.71 NPC1 (0.51) TSHRNPC1MAPK1LMNAGRM5
SCHEMBL28308809 0.70 ESR2 (0.50) TSHRMAPK1GRM5CYP1A2CLK4

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 TSHR 4456/4885LRRK2 1987/4885NPC1 4332/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TSHR 4456/4885LRRK2 1987/4885NPC1 4332/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TSHR 4456/4885LRRK2 1987/4885NPC1 4332/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TSHR 4456/4885LRRK2 1987/4885NPC1 4332/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TSHR 4456/4885LRRK2 1987/4885NPC1 4332/4885

“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.