SCHEMBL211697

SCHEMBL211697

O=C(CN1CCN(c2c(Cl)cnc3[nH]c(-c4cccc(OCCN5CCOCC5)c4)nc23)CC1)Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.59
FGFR1 P11362 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54
KCNA5 P22460 13/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
AURKB Q96GD4 1/20 0.51
AURKC Q9UQB9 1/20 0.51

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
SCHEMBL208518 0.84 AURKA (0.80) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL211566 0.84 AURKA (0.66) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL208782 0.83 AURKA (0.67) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL209744 0.81 AURKA (0.59) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL210791 0.81 AURKA (0.80) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL14495789 0.80 AURKA (0.65) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL210005 0.80 AURKA (0.65) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL2731297 0.80 AURKA (0.62) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL209571 0.78 AURKA (0.80) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL210962 0.77 FGFR1 (0.68) AURKAFGFR1FGFR2FGFR4FGFR3

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 3/4885FGFR1 461/4885FGFR2 711/4885

“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.