SCHEMBL4490904

SCHEMBL4490904

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CCNB1 P14635 1/20 0.35
CCR6 P51684 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
TGM2 P21980 1/20 0.34
BRD4 O60885 3/20 0.34
BRD2 P25440 2/20 0.34
BACE1 P56817 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 1/20 0.33
HTT P42858 1/20 0.33
CASP3 P42574 2/20 0.32
FLT3 P36888 2/20 0.32
CA1 P00915 2/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL4485403 0.91 LRRK2 (0.35) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4488531 0.90 BACE1 (0.41) TGM2BRD4BACE1LRRK2CA12
SCHEMBL4500469 0.90 LRRK2 (0.35) TGM2BACE1LRRK2CA12CA9
SCHEMBL223819 0.88 NR1H4 (0.38) BRD4BRD2BACE1CA12CA9
SCHEMBL3533530 0.88 SENP1 (0.35) CA12CA9CA2CA7CA1
SCHEMBL4488150 0.88 KDR (0.35) BACE1CA12CA9CA2
SCHEMBL4491078 0.85 BRD4 (0.38) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979370 0.84 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490910 0.84 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490906 0.84 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CCNB2 593/4885CDK1 21/4885HSP90AA1 4440/4885

“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.