SCHEMBL6329170

SCHEMBL6329170

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(N(C(C)=O)C(C=O)N3CCCCC3)cc1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.39
PAK1 Q13153 3/20 0.35
TLK2 Q86UE8 3/20 0.34
GSK3B P49841 2/20 0.34
NOX4 Q9NPH5 1/20 0.33
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL6780227 0.87 RET (0.36) RETPAK1TLK2
SCHEMBL6330913 0.86 RET (0.37) RETPAK1TLK2GSK3B
SCHEMBL6330542 0.82 RET (0.42) RETPAK1TLK2GSK3BNOX4
SCHEMBL6332445 0.81 PAK1 (0.39) RETPAK1KDRFLT3MAPK1
SCHEMBL6328460 0.81 PAK1 (0.37) RETPAK1TLK2
SCHEMBL6774320 0.80 RET (0.36) RETPAK1TLK2
SCHEMBL6331144 0.77 RET (0.55) RETTLK2GSK3BNOX4FLT4
SCHEMBL6329200 0.77 ACHE (0.45) RET
SCHEMBL6336940 0.77 ACHE (0.45) RET
SCHEMBL6330656 0.76 RET (0.46) RETTLK2GSK3BNOX4FLT4

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 154/4885PAK1 532/4885TLK2 1364/4885

“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.