SCHEMBL21473905

SCHEMBL21473905

CC(C)c1ccc2ccc(C(C)C)c(N(c3cc(C(C)C)c4ccc5c(N(c6c(C(C)C)ccc7ccc(C(C)C)cc67)c6cccc7c6oc6ccccc67)cc(C(C)C)c6ccc3c4c65)c3cccc4c3oc3ccccc34)c2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL21473904 0.93 TNKS (0.32) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL21473911 0.91 TNKS (0.33) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL21475608 0.89
SCHEMBL4078997 0.86 SIGMAR1 (0.34) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL21473902 0.85 CYP1A2 (0.30)
SCHEMBL4080112 0.84 ALOX5 (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL25824103 0.84 SIGMAR1 (0.34)
SCHEMBL879273 0.84 TNKS (0.39) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL13171185 0.83 TNKS (0.35) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL4079155 0.83 ALOX5 (0.31) TNKSPARP1TNKS2HDAC6PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-11-29 US disclosed
US-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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 (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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 TNKS 4302/4885PARP1 2419/4885TNKS2 4273/4885
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof SLC7A1, WEE1, SLC7A5 TNKS 4302/4885PARP1 2419/4885TNKS2 4273/4885

“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.