SCHEMBL210957

SCHEMBL210957

Brc1cnc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2c1N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.63
TBK1 Q9UHD2 4/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KCNH2 Q12809 2/20 0.50
CYP1A2 P05177 1/20 0.50
TYK2 P29597 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
IKBKE Q14164 1/20 0.43

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
SCHEMBL210380 0.92 AURKA (0.62) AURKATBK1ADORA3ADORA2AADORA2B
SCHEMBL206603 0.91 AURKA (0.76) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL13985716 0.89 AURKA (0.62) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210620 0.88 AURKA (0.67) AURKATBK1CYP2D6CYP2C9CYP2C19
SCHEMBL211953 0.86 AURKA (0.60) AURKATBK1CYP2D6CYP2C9CYP2C19
SCHEMBL207732 0.86 AURKA (0.64) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL209004 0.86 AURKA (0.76) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210406 0.83 AURKA (0.58) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL208841 0.83 AURKA (0.62) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210273 0.82 AURKA (0.61) 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
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 3/4885TBK1 1046/4885CYP2D6 1028/4885

“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.