SCHEMBL29629508

SCHEMBL29629508

COC(=O)c1c(N)c(Br)nn1-c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
FLT3 P36888 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
SLC34A1 Q06495 1/20 0.36
MAPK1 P28482 1/20 0.36
XDH P47989 1/20 0.35
PFKFB3 Q16875 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL29629553 0.87 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25329875 0.85 MEN1 (0.39) ALDH1A1FLT3MEN1KMT2ACYP11B1
SCHEMBL29629565 0.80 ALDH1A1 (0.45) ALDH1A1FLT3MEN1KMT2ACYP11B1
SCHEMBL6331658 0.75 F10 (0.51) ALDH1A1KMT2AMAPK1
SCHEMBL24468034 0.74 MEN1 (0.36) ALDH1A1FLT3MEN1KMT2ACYP11B1
SCHEMBL29629572 0.70 KDM4E (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29629522 0.69 KDM4E (0.40) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3416714 0.69 CYP11B1 (0.36) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL16033963 0.69 PTGS1 (0.58) ALDH1A1MEN1KMT2AKDM4EMAPK14
SCHEMBL21057401 0.69 CYP1A2 (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD

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 4695/4885FLT3 16/4885MEN1 3139/4885

“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.