SCHEMBL209398

SCHEMBL209398

CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5ccccc5)CC4)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.78
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2D6 P10635 1/20 0.51
AURKB Q96GD4 1/20 0.51
AURKC Q9UQB9 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL211649 0.92 AURKA (0.80) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL208883 0.90 AURKA (0.79) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL208125 0.87 AURKA (0.77) AURKA
SCHEMBL210477 0.87 AURKA (0.61) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL207884 0.86 AURKA (0.80) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL210272 0.84 AURKA (0.56) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL2731456 0.84 AURKA (0.63) AURKA
SCHEMBL208892 0.83 AURKA (0.81) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL5074873 0.82 AURKA (0.59) AURKACYP3A4CYP2C9CYP2D6AURKB
SCHEMBL208345 0.82 AURKA (0.58) AURKACYP3A4CYP2C9CYP2D6AURKB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA AURKA 3/4885CYP3A4 439/4885CYP2C9 741/4885

“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.