SCHEMBL6329067

SCHEMBL6329067

CC/C(Nc1ccc(CCN)cc1)=C1/C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.42
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
CHEK1 O14757 4/20 0.38
EGFR P00533 1/20 0.38
AURKB Q96GD4 2/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
TSHR P16473 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
GLA P06280 1/20 0.36
BRD4 O60885 2/20 0.36
BRD2 P25440 1/20 0.36
PDPK1 O15530 1/20 0.36
MEN1 O00255 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
SCHEMBL6329081 1.00 RET (0.42) RETKDM4EATMCHEK1EGFR
SCHEMBL6337435 0.94 RET (0.41) RETCHEK1EGFRAURKBAURKA
SCHEMBL7475197 0.94 RET (0.41) RETCHEK1EGFRAURKBAURKA
SCHEMBL6337430 0.94 RET (0.41) RETCHEK1EGFRAURKBAURKA
SCHEMBL6329095 0.92 RET (0.44) RETCHEK1EGFRBRD4BRD2
SCHEMBL6329107 0.92 RET (0.44) RETCHEK1EGFRBRD4BRD2
SCHEMBL6336916 0.89 RET (0.43) RETCHEK1EGFRAURKBKDR
SCHEMBL6336920 0.89 RET (0.43) RETCHEK1EGFRAURKBKDR
SCHEMBL6409209 0.89 RET (0.42) RETATMCHEK1EGFRAURKB
SCHEMBL6409220 0.89 RET (0.42) RETATMCHEK1EGFRAURKB

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 154/4885KDM4E 221/4885ATM 735/4885

“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.