SCHEMBL17465285

SCHEMBL17465285

CC(=O)c1ccc(-c2ccc(CN3CCCN(C)CC3)cc2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 12/20 0.64
CA2 P00918 1/20 0.51
NCF1 P14598 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
SLC2A1 P11166 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL17465280 0.88 CHKA (0.68) CHKACA2NCF1PRMT6HRH3
SCHEMBL17465281 0.87 CHKA (0.67) CHKACA2NCF1PRMT6HRH3
SCHEMBL16121902 0.81 CHKA (0.76) CHKACA2NCF1PRMT6
SCHEMBL16121577 0.80 CHKA (1.00) CHKACA2NCF1PRMT6HRH3
SCHEMBL16121572 0.80 CHKA (0.75) CHKACA2NCF1PRMT6HRH3
SCHEMBL16121997 0.80 CHKA (0.75) CHKACA2NCF1PRMT6HRH3
SCHEMBL16121782 0.80 CHKA (0.66) CHKACA2NCF1PRMT6
SCHEMBL17465322 0.80 CHKA (0.64) CHKACA2NCF1PRMT6HRH3
SCHEMBL17465279 0.79 CHKA (0.72) CHKACA2NCF1PRMT6HRH3
SCHEMBL17465321 0.78 CHKA (0.87) CHKACA2NCF1PRMT6HRH3

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-20160024024-A1 Novel Choline Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2016-01-28 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-20160024024-A1 Novel Choline Kinase Inhibitors CHKA, CHKB, CEPT1 CHKA 1/4885CA2 1344/4885NCF1 1251/4885

“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.