SCHEMBL4493761

SCHEMBL4493761

CC(=O)N(CCN(C)C)c1ccc(NC(=C2C(=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
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
TGM2 P21980 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 2/20 0.33
CYP19A1 P11511 2/20 0.32
MST1R Q04912 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
SCHEMBL4493758 1.00 CCNB2 (0.35) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979372 1.00 CCNB2 (0.35) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4488454 0.95 SIRT2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4488458 0.95 SIRT2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979378 0.95 SIRT2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL26929196 0.91 BACE1 (0.37) ALDH1A1BACE1HPGDCASP3FLT3
SCHEMBL4491553 0.90 LIMK1 (0.37) TGM2ALDH1A1POLBCYP19A1FLT3
SCHEMBL4491548 0.90 LIMK1 (0.37) TGM2ALDH1A1POLBCYP19A1FLT3
SCHEMBL4494308 0.90 BACE1 (0.41) TGM2ALDH1A1BACE1BRD4HPGD
SCHEMBL6182458 0.90 BACE1 (0.41) TGM2ALDH1A1BACE1BRD4HPGD

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.