SCHEMBL21565611

SCHEMBL21565611

CC(=O)C(CC(=O)c1ccc(Br)cc1)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.59
KMT2A Q03164 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 1/20 0.50
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HAO1 Q9UJM8 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3032065 0.85 KMT2A (0.49) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL5066173 0.84 GSK3B (0.63) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL4770340 0.80 GSK3B (0.57) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL4226890 0.79 KMT2A (0.53) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL8537125 0.78 MAPT (0.59) GSK3BALDH1A1HAO1MAPTHPGD
SCHEMBL11161484 0.76 KMT2A (0.57) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL5255476 0.76 GSK3B (0.55) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL5255481 0.76 GSK3B (0.52) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL8330625 0.76 HAO1 (0.54) GSK3BKMT2AHDAC1HDAC8HDAC3
SCHEMBL105978 0.76 GSK3B (0.52) GSK3BKMT2AHDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20230192704-A1 MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF TEON THERAPEUTICS INC (US) 2023-06-22 US disclosed
EP-4134368-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-15 EP disclosed
EP-3790879-B1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed
WO-2019215316-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-11-14 WO 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-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 GSK3B 1670/4885KMT2A 1533/4885HDAC1 1264/4885
US-20230192704-A1 MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF SLC16A3, SLC16A1, SLC16A8 GSK3B 1468/4885KMT2A 2767/4885HDAC1 336/4885

“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.