SCHEMBL6329157

SCHEMBL6329157

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.45
TLK2 Q86UE8 3/20 0.44
BRD4 O60885 2/20 0.43
PDPK1 O15530 3/20 0.43
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TDP2 O95551 1/20 0.38
GSK3B P49841 2/20 0.37
CYP17A1 P05093 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
IRAK1 P51617 1/20 0.36
PTK2 Q05397 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SLK Q9H2G2 1/20 0.36

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
SCHEMBL6331394 0.87 RET (0.59) RETTLK2CDK2FLT4KDR
SCHEMBL6338435 0.87 RET (0.48) RETTLK2BRD4GSK3BFLT4
SCHEMBL6330474 0.86 RET (0.47) RETTLK2BRD4GSK3BCDK2
SCHEMBL6330577 0.86 RET (0.47) RETTLK2BRD4GSK3BFLT4
SCHEMBL6333337 0.85 RET (0.57) RETTLK2BRD4CDK2FLT4
SCHEMBL6338899 0.84 RET (0.46) RETTLK2BRD4GSK3BSLK
SCHEMBL6331144 0.83 RET (0.55) RETTLK2PDPK1GSK3BFLT4
SCHEMBL6329102 0.83 RET (0.45) RETTLK2BRD4PDPK1GSK3B
SCHEMBL6337801 0.83 RET (0.45) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6329191 0.83 RET (0.53) RETTLK2GSK3BFLT4KDR

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 RET 154/4885TLK2 1364/4885BRD4 439/4885

“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.