SCHEMBL210339

SCHEMBL210339

COc1ccc(C(=O)N2CCN(c3c(Cl)cnc4[nH]c(-c5ccc(N(C)C)cc5)nc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.46
SLC6A7 Q99884 1/20 0.46
GPR183 P32249 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
AURKB Q96GD4 1/20 0.43
AURKC Q9UQB9 1/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL14041303 0.80 JAK2 (0.47) SLC6A7GSK3AGSK3BCYP3A4CYP2C9
SCHEMBL209127 0.77 AURKA (0.61) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209834 0.75 AURKA (0.47) AURKA
SCHEMBL210308 0.75 AURKA (0.53) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL210908 0.74 AURKA (0.64) AURKACYP2D6CYP2C9AURKBLMNA
SCHEMBL208883 0.74 AURKA (0.79) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL5074873 0.74 AURKA (0.59) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL209723 0.74 AURKA (0.63) AURKA
SCHEMBL210162 0.73 AURKA (0.75) AURKACYP3A4CYP2D6CYP2C9AURKB
SCHEMBL14041304 0.73 GSK3A (0.47) SLC6A7GSK3AGSK3BCYP3A4CYP2C9

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 3/4885SLC6A7 3838/4885GPR183 2743/4885

“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.