SCHEMBL6330913

SCHEMBL6330913

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(N(C(C=O)N3CCCC3)S(C)(=O)=O)cc1)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.37
TLK2 Q86UE8 3/20 0.35
BRD4 O60885 2/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PAK1 Q13153 1/20 0.31
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
GSK3B P49841 2/20 0.30
ACHE P22303 1/20 0.30

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 0.99 RET (0.36) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6774320 0.94 RET (0.36) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6328460 0.93 PAK1 (0.37) RETTLK2BRD4PAK1USP2
SCHEMBL6329170 0.86 RET (0.39) RETTLK2PAK1GSK3B
SCHEMBL6332399 0.82 PAK1 (0.37) RETTLK2BRD4PAK1GAA
SCHEMBL6330782 0.81 PAK1 (0.36) RETBRD4PAK1GAAUSP2
SCHEMBL6329051 0.79 RET (0.36) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6330542 0.78 RET (0.42) RETTLK2PAK1L3MBTL1GSK3B
SCHEMBL6329157 0.78 RET (0.45) RETTLK2BRD4PSEN1PSEN2
SCHEMBL6337046 0.77 RET (0.39) RETTLK2BRD4PSEN1PSEN2

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.