SCHEMBL25754069

SCHEMBL25754069

COC(=O)C[C@H](NC(=O)CN)c1cc(C)cc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
ITGB5 P18084 2/20 0.35
ITGB6 P18564 2/20 0.35
ITGB8 P26012 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGA8 P53708 1/20 0.35
LMNA P02545 1/20 0.35
KCNA5 P22460 2/20 0.33
THRB P10828 1/20 0.33
TACR3 P29371 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25625286 0.92 POLB (0.42) POLBMEN1KMT2AKCNA5THRB
SCHEMBL24036757 0.87 POLB (0.39) POLBMEN1KMT2AITGB3ITGAV
SCHEMBL24036756 0.86 POLB (0.38) POLBMEN1KMT2AITGB3ITGAV
SCHEMBL25754075 0.85 WDR5 (0.37) POLBMEN1KMT2AITGB3ITGAV
SCHEMBL24036842 0.83 NOTUM (0.44) POLBMEN1KMT2AITGB3ITGAV
SCHEMBL25625381 0.82 POLB (0.36) POLBMEN1KMT2ATHRBTACR3
SCHEMBL24036727 0.82 KCNA5 (0.47) POLBMEN1KMT2AKCNA5TACR3
SCHEMBL25625085 0.81 THRB (0.36) POLBITGB3ITGAVITGB5ITGB6
SCHEMBL24036824 0.81 ITGB3 (0.40) POLBMEN1KMT2AITGB3ITGAV
SCHEMBL25753874 0.79 MAPT (0.39) POLBMEN1KMT2AITGB3ITGAV

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 POLB 860/4885MEN1 431/4885KMT2A 359/4885

“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.