SCHEMBL209748

SCHEMBL209748

CN(C)Cc1cccc(-c2nc3c(N4CCN(Cc5cccnc5)CC4)c(Br)cnc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KCNH2 Q12809 2/20 0.53
CYP1A2 P05177 1/20 0.53
TYK2 P29597 1/20 0.46
KIT P10721 3/20 0.42
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39

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
SCHEMBL209819 0.92 AURKA (0.57) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL209363 0.92 AURKA (0.58) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL14495796 0.90 AURKA (0.47) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL209009 0.89 AURKA (0.53) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL207732 0.88 AURKA (0.64) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL209601 0.86 AURKA (0.61) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL211046 0.85 AURKA (0.49) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL208841 0.85 AURKA (0.62) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210273 0.84 AURKA (0.61) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210406 0.83 AURKA (0.58) AURKACYP2D6CYP2C9CYP2C19KCNH2

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
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

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 3/4885CYP2D6 1028/4885CYP2C9 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.