SCHEMBL18151289

SCHEMBL18151289

Cn1ncc2cc(-c3c(C#N)cccc3-c3ccncn3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
KDM1A O60341 10/20 0.41
NR3C1 P04150 1/20 0.41
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
GRM5 P41594 1/20 0.39
CREBBP Q92793 2/20 0.39
CYP2D6 P10635 1/20 0.38
GSK3B P49841 1/20 0.38
BRD4 O60885 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL18151574 0.80 MAP4K4 (0.39) TRPA1GRM5CYP2D6GSK3BTGFBR1
SCHEMBL17065178 0.76 GRM5 (0.49) GRM5CYP2D6GSK3B
SCHEMBL31261370 0.76 CDK8 (0.56) TRPA1KDM1ANR3C1CCNCCDK8
SCHEMBL18151247 0.76 TRPA1 (0.47) TRPA1GRM5GSK3B
SCHEMBL31261355 0.73 KDM1A (0.46) TRPA1KDM1A
SCHEMBL18151805 0.72 GRM5 (0.40) KDM1AGRM5CYP2D6GSK3BTGFBR1
SCHEMBL18150868 0.72 GRM5 (0.41) TRPA1GRM5GSK3B
SCHEMBL18151684 0.72 GRM5 (0.40) TRPA1GRM5CYP2D6GSK3BTGFBR1
SCHEMBL16797340 0.71 GRM5 (0.42) GRM5CYP2D6GSK3BTGFBR1
SCHEMBL18151458 0.71 GRM5 (0.39) TRPA1GRM5CYP2D6GSK3B

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 4680/4885KDM1A 2/4885NR3C1 3023/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885KDM1A 2/4885NR3C1 3023/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885KDM1A 2/4885NR3C1 3023/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885KDM1A 2/4885NR3C1 3023/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A TRPA1 4680/4885KDM1A 2/4885NR3C1 3023/4885

“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.