SCHEMBL2531979

SCHEMBL2531979

CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.52
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.44
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2530997 0.93 CHKA (0.53) CHKALMNATHRBMAPTTP53
SCHEMBL2530946 0.91 CHKA (0.51) CHKALMNATHRBMAPTTP53
SCHEMBL2534523 0.87 CHKA (0.68) CHKALMNATHRBMAPTTP53
SCHEMBL2531185 0.86 CHKA (0.47) CHKALMNATHRBMAPTTP53
SCHEMBL2535256 0.85 CHKA (0.52) CHKALMNATHRBMAPTTP53
SCHEMBL2531172 0.85 MAPT (0.57) CHKALMNATHRBMAPTTP53
SCHEMBL2533375 0.83 RAB9A (0.51) CHKALMNATHRBMAPTTP53
SCHEMBL2404478 0.83 THRB (0.59) CHKALMNATHRBMAPTTP53
SCHEMBL2404607 0.82 ESR2 (0.53) CHKALMNATHRBMEN1KMT2A
SCHEMBL2533819 0.82 CHKA (0.58) CHKALMNATHRBMAPTTP53

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 4 patents. 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 claimed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
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 2890/4885THRB 1952/4885

“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.