SCHEMBL6330577

SCHEMBL6330577

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.47
TLK2 Q86UE8 3/20 0.46
PLK4 O00444 2/20 0.45
PLK1 P53350 1/20 0.43
HSP90AA1 P07900 1/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
GSK3B P49841 3/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
BRD4 O60885 3/20 0.39
BRD2 P25440 1/20 0.39
KDM1A O60341 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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 0.90 RET (0.59) RETTLK2HSP90AA1CCNB2CDK1
SCHEMBL6338435 0.90 RET (0.48) RETTLK2GSK3BCCNB2CDK1
SCHEMBL6330474 0.89 RET (0.47) RETTLK2PLK4GSK3BBRD4
SCHEMBL6333337 0.88 RET (0.57) RETTLK2CCNB2CDK1CCNB1
SCHEMBL6338899 0.87 RET (0.46) RETTLK2GSK3BBRD4FLT4
SCHEMBL6329157 0.86 RET (0.45) RETTLK2GSK3BBRD4FLT4
SCHEMBL6337801 0.86 RET (0.45) RETTLK2PLK1GSK3BCCNB2
SCHEMBL6331144 0.86 RET (0.55) RETTLK2GSK3BFLT4KDR
SCHEMBL6329102 0.86 RET (0.45) RETTLK2GSK3BBRD4FLT4
SCHEMBL6329191 0.86 RET (0.53) RETTLK2HSP90AA1PIM1GSK3B

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 4 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
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO 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 1364/4885PLK4 152/4885

“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.