SCHEMBL211867

SCHEMBL211867

Cc1nc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(N6CCN(C(=O)O)C(C(C)(C)C)C6)cc5)nc34)CC2)cs1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.42
FLT3 P36888 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM4 P08173 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL210869 0.93 AURKA (0.41) AURKAKMT2A
SCHEMBL207811 0.88 AURKA (0.51) AURKAFLT3KCNH2KMT2AALDH1A1
SCHEMBL209623 0.84 AURKA (0.45) AURKAKMT2A
SCHEMBL13985709 0.83 AURKA (0.46) AURKAFLT3KCNH2CHRM4KMT2A
SCHEMBL211868 0.83 AURKA (0.48) AURKAFLT3KCNH2CHRM4KMT2A
SCHEMBL210154 0.82 AURKA (0.57) AURKAFLT3KCNH2
SCHEMBL211070 0.82 AURKA (0.56) AURKAFLT3KCNH2
SCHEMBL4757452 0.81 KMT2A (0.43) AURKAFLT3KCNH2KMT2AALDH1A1
SCHEMBL209820 0.79 AURKA (0.58) AURKAFLT3KCNH2
SCHEMBL210870 0.79 AURKA (0.42) AURKAKMT2AALDH1A1SMN1; SMN2

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 3 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-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 205/4885KCNH2 499/4885

“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.