SCHEMBL210868

SCHEMBL210868

Clc1cnc2[nH]c(-c3ccc(CN4CCNCC4)cc3)nc2c1N1CCN(Cc2cncnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.50
FLT3 P36888 2/20 0.45
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AURKB Q96GD4 1/20 0.39
KCNH2 Q12809 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL209261 0.87 AURKA (0.47) AURKAFLT3CYP2D6CYP2C9CYP2C19
SCHEMBL209965 0.87 AURKA (0.62) AURKAFLT3
SCHEMBL13985585 0.85 AURKA (0.42) AURKAFLT3CYP2D6CYP2C9CYP2C19
SCHEMBL211945 0.84 AURKA (0.50) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL211684 0.83 AURKA (0.48) AURKAFLT3CYP2D6CYP2C9CYP2C19
SCHEMBL209864 0.82 TBK1 (0.44) AURKAFLT3
SCHEMBL13985474 0.81 AURKA (0.52) AURKACYP2D6CYP2C9CYP2C19AURKB
SCHEMBL4756518 0.80 AURKA (0.40) AURKAKCNH2
SCHEMBL209582 0.80 AURKA (0.62) AURKACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL210671 0.80 AURKA (0.64) 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 7 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

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 3/4885FLT3 205/4885CYP2D6 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.