SCHEMBL29629565

SCHEMBL29629565

COC(=O)c1nn(-c2ccc(C#N)cc2)c(Br)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.40
PFKFB3 Q16875 1/20 0.40
FLT3 P36888 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29629572 0.87 KDM4E (0.61) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL29629508 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETP53PFKFB3FLT3
SCHEMBL3416714 0.74 CYP11B1 (0.36) ALDH1A1KDM4EGAAL3MBTL1CYP11B1
SCHEMBL25329875 0.72 MEN1 (0.39) ALDH1A1KDM4EMAPTPFKFB3FLT3
SCHEMBL3412105 0.72 KDM4E (0.39) KDM4EL3MBTL1THRBTP53CYP11B1
SCHEMBL29629553 0.70 KDM4E (0.54) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL29629589 0.69 KDM4E (0.49) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL16033963 0.69 PTGS1 (0.58) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL19639763 0.69 EGLN2 (0.49) KDM4ECYP11B1CYP11B2POLBMAPK14
SCHEMBL24468034 0.68 MEN1 (0.36) ALDH1A1KDM4EMAPTRECQLFLT3

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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK ALDH1A1 4695/4885KDM4E 1509/4885MAPT 3683/4885

“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.