SCHEMBL18579255

SCHEMBL18579255

Fc1ccc(Cn2cnc(-c3ccccn3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 6/20 0.61
▸ KDM4C Q9H3R0 6/20 0.61
▸ KDM5A P29375 4/20 0.61
▸ KDM4A O75164 3/20 0.61
▸ CYP2E1 P05181 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2B6 P20813 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ FLT3 P36888 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ PHF8 Q9UPP1 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL18579569 0.86 KDM5B (0.62) KDM5BKDM4CKDM5AKDM4AFLT3
SCHEMBL18579507 0.86 KDM4C (0.65) KDM5BKDM4CKDM5AKDM4ACYP2E1
SCHEMBL18579809 0.79 KDM5B (0.65) KDM5BKDM4CKDM5AKDM4APHF8
SCHEMBL21430203 0.79 PHF8 (0.58) KDM5BKDM4CKDM5AKDM4ACYP2E1
SCHEMBL16033855 0.76 KDM4C (1.00) KDM5BKDM4CKDM5AKDM4A
SCHEMBL16034316 0.72 KDM5A (0.57) KDM5BKDM4CKDM5AKDM4ACYP2E1
SCHEMBL7101565 0.72 KDM4E (0.47) KDM5BKDM4CKDM5AKDM4ANPC1
SCHEMBL18579762 0.71 KDM5A (0.67) KDM5BKDM4CKDM5AKDM4APHF8
SCHEMBL5758123 0.71 KDM5B (0.50) KDM5BKDM4CKDM5AKDM4ACYP2E1
SCHEMBL21199434 0.71 CYP11B1 (0.50) KDM5BKDM4CKDM5AKDM4ACYP19A1

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 KDM5B 10/4885KDM4C 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.

Send feedback