SCHEMBL18151671

SCHEMBL18151671

Cc1ccc(C#N)c(-n2cccn2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
GRM5 P41594 4/20 0.38
ADORA2A P29274 2/20 0.37
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ADRA2A P08913 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.35
GLA P06280 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 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

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 0.77 TSHR (0.44) KDM4EGRM5ADORA2AALDH1A1MAPK1
SCHEMBL18151672 0.74 TSHR (0.42) GRM5ADORA2AMAPK1LMNAFLT1
SCHEMBL17594887 0.70 GRM5 (0.49) KDM4EGRM5ALDH1A1MAPK1MAPT
SCHEMBL21189086 0.70 HSD17B10 (0.49) KDM4EADORA2AALDH1A1HPGDHTT
SCHEMBL5539875 0.68 GRM5 (0.40) KDM4EGRM5ADORA2AALDH1A1HTT
SCHEMBL18151670 0.67 NPC1 (0.42) KDM4EGRM5MAPK1LMNASMN1; SMN2
SCHEMBL31525317 0.67 ADORA2A (0.36) KDM4EGRM5ADORA2AALDH1A1MAPK1
SCHEMBL15536686 0.66 TSHR (0.45) KDM4EADORA2AMDM2ALDH1A1HPGD
SCHEMBL4219748 0.66 NPC1 (0.51) KDM4EGRM5ADORA2AALDH1A1MAPK1
SCHEMBL29563253 0.66 NPC1 (0.51) KDM4EGRM5ADORA2AALDH1A1MAPK1

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 KDM4E 16/4885GRM5 2262/4885ADORA2A 4213/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM4E 16/4885GRM5 2262/4885ADORA2A 4213/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM4E 16/4885GRM5 2262/4885ADORA2A 4213/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM4E 16/4885GRM5 2262/4885ADORA2A 4213/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM4E 16/4885GRM5 2262/4885ADORA2A 4213/4885

“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.