SCHEMBL17686457

SCHEMBL17686457

Cn1nc(I)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SSTR4 P31391 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HSP90AA1 P07900 2/20 0.37
NAMPT P43490 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PLK1 P53350 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
APAF1 O14727 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TSHR P16473 1/20 0.34
GSK3B P49841 1/20 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
SCHEMBL17610229 0.85 ATM (0.44) MEN1HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL14077457 0.81 MEN1 (0.42) MEN1HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL13106170 0.79 ADORA2A (0.59) MEN1HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL15792144 0.79 ADORA2A (0.39) MEN1KMT2AKDM4EALDH1A1NAMPT
SCHEMBL15792324 0.78 KDM4C (0.46) MEN1HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL15793095 0.78 MAPK8 (0.44) HCRTR1KDM4EKDM4CMAPT
SCHEMBL14737465 0.78 ESR1 (0.46) ADORA2AADORA2B
SCHEMBL1047954 0.78 MAPK8 (0.44) MEN1KMT2AALDH1A1MAPTADORA2A
SCHEMBL9179915 0.78 SCN9A (0.41) MEN1HCRTR1KMT2AKDM4EALDH1A1
SCHEMBL15832959 0.77 KDM4E (0.41) MEN1HCRTR1KMT2AKDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
US-10231957-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-19 US disclosed
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-27 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US disclosed
US-9758517-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-12 US disclosed
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 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-10016401-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MEN1 3094/4885HCRTR1 4246/4885KMT2A 42/4885
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MEN1 3094/4885HCRTR1 4246/4885KMT2A 42/4885
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MEN1 3094/4885HCRTR1 4246/4885KMT2A 42/4885
US-10231957-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MEN1 3094/4885HCRTR1 4246/4885KMT2A 42/4885
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MEN1 3094/4885HCRTR1 4246/4885KMT2A 42/4885

“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.