SCHEMBL4481832

SCHEMBL4481832

CN(C)CCN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CCNB1 P14635 1/20 0.33
CCR6 P51684 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
TGM2 P21980 1/20 0.33
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
SENP1 Q9P0U3 2/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 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
SCHEMBL4481828 1.00 CCNB2 (0.33) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490906 0.92 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490910 0.92 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979370 0.92 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL2567811 0.92 BACE1 (0.36) LTA4HBACE1SENP1SMN1; SMN2
SCHEMBL2567813 0.92 BACE1 (0.36) LTA4HBACE1SENP1SMN1; SMN2
SCHEMBL4488575 0.91 SLC6A9 (0.37) ALDH1A1POLBKDM4ENPC1MEN1
SCHEMBL4477240 0.91 BACE1 (0.39) TGM2LTA4HLMNABACE1SMN1; SMN2
SCHEMBL4477236 0.91 BACE1 (0.39) TGM2LTA4HLMNABACE1SMN1; SMN2
SCHEMBL4488574 0.91 SLC6A9 (0.37) ALDH1A1POLBKDM4ENPC1MEN1

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.