SCHEMBL4485403

SCHEMBL4485403

CN(C(=O)C(C)(C)N)c1cccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CCNB1 P14635 1/20 0.34
CCR6 P51684 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
TGM2 P21980 1/20 0.33
NTRK1 P04629 1/20 0.33
KCNK3 O14649 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CHEK1 O14757 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
SCHEMBL4490904 0.91 CCNB2 (0.35) LRRK2CCNB2CDK1HSP90AA1CCNB1
SCHEMBL4485052 0.90 RXFP1 (0.36) LRRK2MEN1KMT2ACA12CA2
SCHEMBL4485404 0.85 LRRK2 (0.37) LRRK2MEN1TP53KMT2ACCNB2
SCHEMBL4485408 0.85 LRRK2 (0.37) LRRK2MEN1TP53KMT2ACCNB2
SCHEMBL3533530 0.81 SENP1 (0.35) CA12CA2CA7CA9NR1H4
SCHEMBL4488531 0.81 BACE1 (0.41) LRRK2TP53CA12CA2CA9
SCHEMBL4500469 0.81 LRRK2 (0.35) LRRK2MEN1TP53KMT2ACA12
SCHEMBL6322578 0.81 KDR (0.38) MEN1KMT2AKCNK3
SCHEMBL6322572 0.81 KDR (0.38) MEN1KMT2AKCNK3
SCHEMBL223819 0.80 NR1H4 (0.38) CA12CA2CA9NR1H4CA1

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 168/4885MEN1 1288/4885TP53 681/4885

“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.