SCHEMBL21486565

SCHEMBL21486565

COc1cc2nc(NCCN)nc(NC3CCN(C(C)C)CC3)c2cc1OC

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 5/20 0.79
EHMT1 Q9H9B1 9/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
EHMT2 Q96KQ7 11/20 0.65
SPIN1 Q9Y657 2/20 0.65
NSD2 O96028 1/20 0.63
KDM1A O60341 1/20 0.61
RCOR1 Q9UKL0 1/20 0.61

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
SCHEMBL22144601 0.90 WHR1 (0.79) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL21486655 0.89 EHMT2 (0.81) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144596 0.89 WHR1 (0.78) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144597 0.89 WHR1 (1.00) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144594 0.88 WHR1 (0.76) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL30161184 0.87 WHR1 (0.81) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144697 0.87 WHR1 (0.81) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144598 0.86 EHMT2 (0.80) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144628 0.86 SPIN1 (0.76) WHR1EHMT1HDAC1HDAC6EHMT2
SCHEMBL22144626 0.85 CCR4 (0.77) WHR1EHMT1HDAC1HDAC6EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-10-24 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-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME HDAC1, HDAC2, DOT1L WHR1 262/4885EHMT1 5/4885HDAC1 1/4885

“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.