SCHEMBL209129

SCHEMBL209129

O=C(CN1CCN(c2c(Br)cnc3[nH]cnc23)CC1)Nc1nccs1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.75
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KDR P35968 1/20 0.47
KCNA5 P22460 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
AURKB Q96GD4 1/20 0.46
AURKC Q9UQB9 1/20 0.46

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
SCHEMBL210917 0.81 AURKA (0.67) AURKALMNAKMT2ASMN1; SMN2KDR
SCHEMBL209457 0.81 AURKA (0.78) AURKALMNAKMT2AKDRKCNA5
SCHEMBL209508 0.79 AURKA (0.57) AURKALMNAKMT2ASMN1; SMN2KDR
SCHEMBL209341 0.79 AURKA (0.68) AURKALMNAKMT2ASMN1; SMN2KDR
SCHEMBL208654 0.78 AURKA (0.65) AURKALMNAKMT2ASMN1; SMN2KDR
SCHEMBL207884 0.77 AURKA (0.80) AURKALMNAKMT2ACYP3A4CYP2D6
SCHEMBL208675 0.77 AURKA (0.61) AURKALMNAKMT2ASMN1; SMN2KDR
SCHEMBL209235 0.76 AURKA (0.80) AURKALMNAKMT2ASMN1; SMN2CYP3A4
SCHEMBL210804 0.76 AURKA (0.53) AURKALMNAKMT2AKCNA5CYP3A4
SCHEMBL209131 0.76 AURKA (0.63) AURKALMNAKMT2ASMN1; SMN2KDR

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 3/4885LMNA 2674/4885KMT2A 384/4885

“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.