SCHEMBL18579243

SCHEMBL18579243

Cn1cnc(-c2ccccn2)c1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.62
KDM4C Q9H3R0 10/20 0.60
KDM5A P29375 5/20 0.60
KDM5B Q9UGL1 5/20 0.60
KDM4A O75164 1/20 0.60
PHF8 Q9UPP1 2/20 0.56
KDM2B Q8NHM5 7/20 0.54
TGFBR1 P36897 2/20 0.51
NSD3 Q9BZ95 1/20 0.50
NR3C2 P08235 2/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL18579664 0.85 KDM4C (0.60) MAPK14KDM4CKDM5AKDM5BKDM4A
SCHEMBL18579665 0.83 KDM4C (0.61) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL27335372 0.77 MAPK14 (1.00) MAPK14NSD3NR3C2MAPK13MAPK12
SCHEMBL18579250 0.76 KDM4C (0.65) KDM4CKDM5AKDM5BKDM2BTGFBR1
SCHEMBL16034027 0.76 KDM4C (0.62) MAPK14KDM4CKDM5AKDM5BKDM4A
SCHEMBL19101673 0.76 KDM4C (0.65) MAPK14KDM4CKDM5AKDM5BKDM4A
SCHEMBL7715109 0.75 NSD3 (0.64) MAPK14KDM4CKDM5AKDM5BKDM2B
SCHEMBL16033660 0.75 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL4561720 0.74 MAPK14 (0.68) MAPK14KDM4CKDM5AKDM5BKDM4A
SCHEMBL18579588 0.74 KDM4C (0.67) KDM4CKDM5AKDM5BPHF8KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 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 (1 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-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B MAPK14 3090/4885KDM4C 13/4885KDM5A 8/4885

“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.