SCHEMBL6328966

SCHEMBL6328966

CCN(CC)CC(=O)N(C)c1ccc(NC(C)C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.42
TLK2 Q86UE8 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
BRD4 O60885 1/20 0.35
GSK3B P49841 2/20 0.35
KDR P35968 2/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
CHEK1 O14757 2/20 0.34
HTT P42858 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL6331073 0.92 RET (0.42) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6330822 0.92 RET (0.44) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6330612 0.89 RET (0.44) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6338914 0.88 RET (0.42) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6329130 0.88 RET (0.44) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6336965 0.87 RET (0.45) RETTLK2BRD4GSK3BKDR
SCHEMBL6329718 0.86 RET (0.42) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6330656 0.86 RET (0.46) RETTLK2PSEN1PSEN2APH1B
SCHEMBL6329819 0.86 RET (0.46) RETTLK2BRD4GSK3BKDR
SCHEMBL6333089 0.85 RET (0.46) RETTLK2BRD4GSK3BKDR

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 1364/4885PSEN1 2014/4885

“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.