SCHEMBL3205510

SCHEMBL3205510

CN(C)Cc1cncc(-c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
DYRK1A Q13627 4/20 0.41
MAP4K4 O95819 5/20 0.40
SRD5A2 P31213 1/20 0.39
XDH P47989 1/20 0.39
AR P10275 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CHEK1 O14757 1/20 0.38
AOC3 Q16853 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
WNT1 P04628 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3215162 0.87 MKNK1 (0.46) MKNK1MKNK2DYRK1AMAP4K4XDH
SCHEMBL3215264 0.86 HRH3 (0.47) SRD5A2RXRARXRBTSHRMEN1
SCHEMBL3220302 0.85 TSHR (0.45) SRD5A2TSHRMEN1KMT2A
SCHEMBL3211520 0.83 AOC3 (0.55) AOC3
SCHEMBL3221818 0.79 AOC3 (0.50) AOC3TSHRMEN1KMT2A
SCHEMBL775121 0.78 CLK2 (0.50) DYRK1ACLK2CLK3WNT1TSHR
SCHEMBL3221130 0.77 AR (0.54) MKNK1MKNK2MAP4K4SRD5A2AR
SCHEMBL3200142 0.76 SLC6A2 (0.51) MAP4K4SRD5A2TSHRMEN1KMT2A
SCHEMBL3205647 0.74 TSHR (0.50) MAP4K4SRD5A2RXRARXRBTSHR
SCHEMBL3217027 0.74 PRKAB2 (0.51) MAP4K4SRD5A2RXRARXRBTSHR

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B MKNK1 690/4885MKNK2 919/4885DYRK1A 1327/4885

“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.