SCHEMBL25979152

SCHEMBL25979152

Cn1ncc2ccc(-c3ccc(N(Cc4ccc(C(=O)NOI)cc4)C(=O)N4CCOCC4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
PIK3CA P42336 1/20 0.42
FASN P49327 1/20 0.42
JAK2 O60674 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AR P10275 1/20 0.38
QPCT Q16769 1/20 0.38
WNT1 P04628 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MLYCD O95822 2/20 0.37
BRD4 O60885 1/20 0.37
CD274 Q9NZQ7 2/20 0.37

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
SCHEMBL16211334 0.91 TNKS (0.46) TNKSTNKS2CCNCCDK8PIK3CA
SCHEMBL16211339 0.89 TNKS (0.46) TNKSTNKS2CCNCCDK8PIK3CA
SCHEMBL16211331 0.84 HDAC6 (0.48) TNKSTNKS2CCNCCDK8PIK3CA
SCHEMBL25979143 0.83 HDAC1 (0.46) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25979184 0.83 ALDH1A1 (0.41) CCNCCDK8HDAC1HDAC8HDAC6
SCHEMBL25979180 0.83 MAPT (0.46) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL16211835 0.82 HDAC1 (0.48) TNKSTNKS2CCNCCDK8PIK3CA
SCHEMBL25979197 0.82 HDAC1 (0.44) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL22217979 0.82 TNKS (0.45) TNKSTNKS2CCNCCDK8PIK3CA
SCHEMBL25979228 0.81 HDAC1 (0.42) HDAC1HDAC8HDAC6GSK3BDYRK1A

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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 TNKS 3997/4885TNKS2 4141/4885CCNC 1815/4885

“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.