SCHEMBL2534643

SCHEMBL2534643

CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.57
MAPT P10636 5/20 0.55
TP53 P04637 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MPO P05164 1/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48

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) CHKAMAPTTP53THRBPOLB
SCHEMBL2530593 0.90 CHKA (0.70) CHKAMAPTTP53SMN1; SMN2POLB
SCHEMBL2532597 0.89 MAPT (0.55) CHKAMAPTTP53SMN1; SMN2POLB
SCHEMBL2404195 0.87 MAPT (0.56) MAPTTP53SMN1; SMN2MPOTHRB
SCHEMBL2534691 0.87 CHKA (0.60) CHKAMAPTTP53POLBMEN1
SCHEMBL2535804 0.86 CHKA (0.59) CHKAMAPTTP53POLBMEN1
SCHEMBL2533345 0.85 TP53 (0.51) CHKAMAPTTP53POLBMEN1
SCHEMBL2531572 0.85 POLB (0.54) CHKAMAPTTP53SMN1; SMN2THRB
SCHEMBL2531172 0.85 MAPT (0.57) CHKAMAPTTP53THRBPOLB
SCHEMBL2534636 0.84 CHKA (0.68) CHKAMAPTTP53POLBHSD17B10

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 3 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 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 1/4885MAPT 1448/4885TP53 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.