SCHEMBL18151571

SCHEMBL18151571

Cc1ncccc1-c1c(C#N)cccc1-c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
UCHL1 P09936 1/20 0.36
CASP6 P55212 1/20 0.35
TGFBR1 P36897 2/20 0.35
EDNRA P25101 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CYP2D6 P10635 1/20 0.34
GSK3B P49841 1/20 0.34
LCK P06239 1/20 0.33
BRAF P15056 1/20 0.33
TEK Q02763 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18151573 0.91 GRM5 (0.42) GRM5UCHL1CASP6TGFBR1EDNRA
SCHEMBL17065178 0.86 GRM5 (0.49) GRM5UCHL1NISCHCYP2D6GSK3B
SCHEMBL16797340 0.85 GRM5 (0.42) GRM5UCHL1TGFBR1NISCHCYP2D6
SCHEMBL18151343 0.83 GRM5 (0.42) GRM5UCHL1CYP2D6GSK3BMEN1
SCHEMBL18151688 0.82 MAP4K4 (0.44) GRM5UCHL1CYP2D6GSK3BBRAF
SCHEMBL15850413 0.80 CASP6 (0.44) CASP6EDNRACYP2D6LCKBRAF
SCHEMBL16797343 0.78 LRRK2 (0.44) GRM5UCHL1NISCHCYP2D6GSK3B
SCHEMBL2572572 0.77 CYP1A2 (0.41) GRM5UCHL1TGFBR1NISCHCYP2D6
SCHEMBL30485537 0.77 GRM5 (0.44) GRM5UCHL1CYP2D6GSK3BMEN1
SCHEMBL27852673 0.77 GRM5 (0.44) GRM5UCHL1CYP2D6GSK3BMEN1

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 GRM5 2262/4885UCHL1 213/4885CASP6 3738/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A GRM5 2262/4885UCHL1 213/4885CASP6 3738/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A GRM5 2262/4885UCHL1 213/4885CASP6 3738/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A GRM5 2262/4885UCHL1 213/4885CASP6 3738/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A GRM5 2262/4885UCHL1 213/4885CASP6 3738/4885

“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.