SCHEMBL4491083

SCHEMBL4491083

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCNB1 P14635 1/20 0.36
CCR6 P51684 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ACHE P22303 2/20 0.36
LSS P48449 1/20 0.35
TGM2 P21980 1/20 0.35
BCHE P06276 1/20 0.35
BACE1 P56817 1/20 0.35
SLC2A1 P11166 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL4491081 1.00 ROCK2 (0.37) ROCK2CCNB2CDK1HSP90AA1CCNB1
SCHEMBL4491404 0.91 TMEM97 (0.39) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL4491402 0.91 TMEM97 (0.39) CCNB2CDK1HSP90AA1CCNB1CCR6
SCHEMBL12237707 0.90 ROCK2 (0.37) ROCK2ACHELSSBCHEBACE1
SCHEMBL224677 0.89 LSS (0.35) ROCK2ACHELSSBACE1SLC2A1
SCHEMBL224678 0.89 LSS (0.35) ROCK2ACHELSSBACE1SLC2A1
SCHEMBL15408464 0.89 ROCK2 (0.37) ROCK2ACHELSSBCHEBACE1
SCHEMBL15425751 0.89 ROCK2 (0.37) ROCK2ACHELSSBCHEBACE1
SCHEMBL4487046 0.89 LSS (0.44) ROCK2LSSSLC2A1TMEM97SIGMAR1
SCHEMBL3157925 0.89 ROCK2 (0.43) ROCK2ACHELSSBCHEBACE1

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 ROCK2 392/4885CCNB2 593/4885CDK1 21/4885

“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.