SCHEMBL6330782

SCHEMBL6330782

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(N(CCN3CCCCC3)S(C)(=O)=O)cc1)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
RET P07949 4/20 0.36
MAPK1 P28482 1/20 0.35
ACHE P22303 5/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.35
BRD4 O60885 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 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
SCHEMBL6332399 0.99 PAK1 (0.37) PAK1GAALMNARETMAPK1
SCHEMBL6331107 0.93 PAK1 (0.36) PAK1GAARETUSP2ALDH1A1
SCHEMBL6331170 0.92 PAK1 (0.45) PAK1RETCHEK1FLT3
SCHEMBL6329112 0.86 RET (0.39) RETBRD4KDRFLT3
SCHEMBL6337046 0.86 RET (0.39) RETCHEK1BRD4FLT3
SCHEMBL6332445 0.86 PAK1 (0.39) PAK1RETMAPK1CHEK1MET
SCHEMBL6335856 0.85 RET (0.39) RETBRD4KDRFLT3
SCHEMBL6331388 0.85 PSEN1 (0.40) RETCHEK1BRD4PDGFRBKDR
SCHEMBL6339064 0.84 BRD4 (0.40) RETBRD4KDRFLT3
SCHEMBL6340191 0.83 ACHE (0.42) PAK1RETMAPK1ACHECHEK1

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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI PAK1 532/4885GAA 4382/4885LMNA 2191/4885

“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.