SCHEMBL17899150

SCHEMBL17899150

CC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 6/20 0.84
KDM6A O15550 5/20 0.84
KDM5B Q9UGL1 4/20 0.84
KDM2B Q8NHM5 4/20 0.84
KDM5C P41229 3/20 0.84
KDM4C Q9H3R0 3/20 0.84
PHF8 Q9UPP1 3/20 0.84
KDM5A P29375 3/20 0.84
KDM4A O75164 2/20 0.84
KDM4B O94953 2/20 0.84
KDM3A Q9Y4C1 2/20 0.84
CHRNA1 P02708 2/20 0.84
MAOB P27338 2/20 0.84
OPRM1 P35372 2/20 0.84
OPRK1 P41145 2/20 0.84
PDE4B Q07343 2/20 0.84
SCN5A Q14524 2/20 0.84
KDM4E B2RXH2 1/20 0.84
MAOA P21397 1/20 0.84
KCNH2 Q12809 1/20 0.84

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
SCHEMBL10157115 0.91 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29353127 0.91 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29371558 0.91 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL18159121 0.90 KDM6B (0.85) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL25183825 0.89 HDAC1 (0.89) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL21473967 0.89 KDM6B (0.82) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29409168 0.88 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29373519 0.88 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL14931829 0.88 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL25507239 0.88 KDM6A (0.79) KDM6BKDM6AKDM5BKDM2BKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150976-A1 4-Amino Pyrimidine Compounds for the Treatment of Cancer UNIVERSITY OF ROCHESTER (US) 2023-05-18 US disclosed
US-20200376146-A1 NANOBIOLOGIC COMPOSITIONS FOR INHIBITING TRAINED IMMUNITY STICHTING RADBOUD UNIVERSITAIR MEDISCH CENTRUM (NL) 2020-12-03 US disclosed
US-20200376102-A1 METHODS FOR INHIBITING TRAINED IMMUNITY WITH NANOBIOLOGIC COMPOSITIONS STICHTING RADBOUD UNIVERSITAIR MEDISCH CENTRUM (NL) 2020-12-03 US disclosed
US-20160194718-A1 Compositions and Methods for Identification, Assessment, Prevention, and Treatment of Cancer Using Histone H3K27ME3 Biomarkers and Modulators DANA-FARBER CANCER INSTITUTE, INC. 2016-07-07 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 (4 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-20200376146-A1 NANOBIOLOGIC COMPOSITIONS FOR INHIBITING TRAINED IMMUNITY CD47, MYD88, TNF KDM6B 1053/4885KDM6A 1124/4885KDM5B 830/4885
US-20230150976-A1 4-Amino Pyrimidine Compounds for the Treatment of Cancer KDM3B, KDM4D, KDM3A KDM6B 10/4885KDM6A 20/4885KDM5B 15/4885
US-20160194718-A1 Compositions and Methods for Identification, Assessment, Prevention, and Treatment of Cancer Using Histone H3K27ME3 Biomarkers and Modulators EZH2, BMI1, CBX3 KDM6B 95/4885KDM6A 70/4885KDM5B 120/4885
US-20200376102-A1 METHODS FOR INHIBITING TRAINED IMMUNITY WITH NANOBIOLOGIC COMPOSITIONS CD47, MYD88, IL2 KDM6B 753/4885KDM6A 777/4885KDM5B 621/4885

“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.