SCHEMBL211101

SCHEMBL211101

CN(C)c1ccc(-c2nc3c(N4CCN(Cc5c(F)cccc5Cl)CC4)c(Cl)cnc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.48
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AURKB Q96GD4 1/20 0.44
AURKC Q9UQB9 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A13 Q16696 1/20 0.39
GRIN2B Q13224 2/20 0.38
PHGDH O43175 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL210803 0.80 AURKA (0.54) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL210308 0.79 AURKA (0.53) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL209127 0.77 AURKA (0.61) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL208883 0.77 AURKA (0.79) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL2731456 0.76 AURKA (0.63) AURKA
SCHEMBL208892 0.76 AURKA (0.81) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL209643 0.76 AURKA (0.62) AURKA
SCHEMBL210162 0.76 AURKA (0.75) AURKACYP2D6CYP3A4CYP2C9AURKB
SCHEMBL210493 0.74 AURKA (0.57) AURKA
SCHEMBL209323 0.74 AURKA (0.75) AURKACYP2D6CYP2C9CYP1A2

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 9 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
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 3/4885CYP2D6 1028/4885CYP3A4 439/4885

“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.