SCHEMBL6330985

SCHEMBL6330985

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(CN3CCOCC3)cc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.47
ACHE P22303 2/20 0.47
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PDE4D Q08499 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL6337159 0.92 ACHE (0.44) ACHE
SCHEMBL6329200 0.91 ACHE (0.45) ACHE
SCHEMBL6336940 0.91 ACHE (0.45) ACHE
SCHEMBL6338869 0.90 RET (0.40) PAK1ACHE
SCHEMBL6331431 0.89 RET (0.42) PAK1ACHEALDH1A1KMT2ASMN1; SMN2
SCHEMBL6340308 0.88 RET (0.39) PAK1ACHELRRK2
SCHEMBL6335942 0.86 RET (0.39) PAK1ACHELRRK2
SCHEMBL6330608 0.85 RET (0.43) PAK1ACHELRRK2ALDH1A1
SCHEMBL6331170 0.82 PAK1 (0.45) PAK1LRRK2
SCHEMBL6340191 0.82 ACHE (0.42) PAK1ACHEMAPK1

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 532/4885ACHE 3681/4885LRRK2 892/4885

“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.