SCHEMBL4485408

SCHEMBL4485408

CN(C)CC(=O)N(C)c1cccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
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
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 1/20 0.34
EGFR P00533 1/20 0.33
KCNK3 O14649 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4485404 1.00 LRRK2 (0.37) LRRK2KMT2AMEN1TP53CCNB2
SCHEMBL4490910 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL30979370 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4490906 0.91 CCNB2 (0.36) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4485060 0.90 RXFP1 (0.37) KMT2AMEN1CA12CA2CA7
SCHEMBL4485055 0.90 RXFP1 (0.37) KMT2AMEN1CA12CA2CA7
SCHEMBL4485403 0.85 LRRK2 (0.35) LRRK2KMT2AMEN1TP53CCNB2
SCHEMBL4481828 0.83 CCNB2 (0.33) KMT2AMEN1CCNB2CDK1HSP90AA1
SCHEMBL4481832 0.83 CCNB2 (0.33) KMT2AMEN1CCNB2CDK1HSP90AA1
SCHEMBL4491116 0.82 EGFR (0.40) 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 LRRK2 168/4885KMT2A 3530/4885MEN1 1288/4885

“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.