SCHEMBL2535804

SCHEMBL2535804

CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)nc(C)c3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 5/20 0.52
MAPT P10636 7/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
BAP1 Q92560 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2534523 0.91 CHKA (0.68) CHKALMNATP53MAPTKDM4E
SCHEMBL2533301 0.91 LMNA (0.56) CHKALMNATP53MAPTKDM4E
SCHEMBL2534636 0.88 CHKA (0.68) CHKALMNATP53MAPTKDM4E
SCHEMBL2531303 0.88 CHKA (0.54) CHKALMNATP53MAPTKDM4E
SCHEMBL12218940 0.87 LMNA (0.53) CHKALMNATP53MAPTKDM4E
SCHEMBL2537264 0.87 CHRNB2 (0.54) CHKALMNATP53MAPTKDM4E
SCHEMBL2531192 0.87 CHKA (0.53) CHKALMNATP53MAPTKDM4E
SCHEMBL2534691 0.87 CHKA (0.60) CHKALMNATP53MAPTKDM4E
SCHEMBL2534643 0.86 CHKA (0.57) CHKATP53MAPTMEN1KMT2A
SCHEMBL2531571 0.85 CHKA (0.52) CHKALMNATP53MAPTKDM4E

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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics CHKA, CHKB, CEPT1 CHKA 1/4885LMNA 2890/4885TP53 1116/4885

“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.