SCHEMBL21967072

SCHEMBL21967072

CC(C)(CNC(=O)O)Nc1nc(Cl)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 0.32
JUN P05412 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
BCL6 P41182 1/20 0.31
BTK Q06187 1/20 0.31
XPO1 O14980 1/20 0.30
ABL1 P00519 2/20 0.30
BCR P11274 2/20 0.30

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
SCHEMBL20390049 0.86 MEN1 (0.37) MEN1KMT2ASTK17BSTK17AMAPK8
SCHEMBL29474436 0.85 STK17B (0.54) MEN1KMT2ASTK17BSTK17ALATS1
SCHEMBL2722686 0.85 STK17B (0.54) MEN1KMT2ASTK17BSTK17ALATS1
SCHEMBL13649031 0.80 MEN1 (0.44) MEN1KMT2ASTK17BSTK17AMAPK8
SCHEMBL21967073 0.76 MEN1 (0.37) MEN1KMT2ASTK17BSTK17ANFKB1
SCHEMBL21388313 0.75 MEN1 (0.38) MEN1KMT2ASTK17BSTK17A
SCHEMBL17595892 0.75 STK17A (0.41) MEN1KMT2ASTK17BSTK17ABTK
SCHEMBL12984990 0.75 MEN1 (0.42) MEN1KMT2ASTK17BSTK17ALATS1
SCHEMBL25956733 0.75 MEN1 (0.36) MEN1KMT2ASTK17BSTK17A
SCHEMBL12985024 0.75 KMT2A (0.46) MEN1KMT2ASTK17BSTK17ALATS1

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-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
US-10660896-B2 Transient protection of normal cells during chemotherapy GI Therapeutics, Inc. (US) 2020-05-26 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 (2 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 MEN1 2275/4885KMT2A 276/4885STK17B 149/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 MEN1 3666/4885KMT2A 513/4885STK17B 1245/4885

“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.