SCHEMBL6329680

SCHEMBL6329680

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(CNCc3ccccc3)cc1)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.49
TLK2 Q86UE8 3/20 0.43
BRD4 O60885 2/20 0.41
NTRK1 P04629 2/20 0.39
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
HTR2A P28223 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CSNK1A1 P48729 1/20 0.35

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
SCHEMBL6779295 0.91 RET (0.51) RETTLK2BRD4NTRK1MAPT
SCHEMBL6338486 0.91 RET (0.43) RETTLK2BRD4NTRK1FLT4
SCHEMBL6337237 0.90 RET (0.43) RETTLK2BRD4NTRK1MEN1
SCHEMBL6330735 0.89 RET (0.44) RETTLK2BRD4NTRK1FLT4
SCHEMBL6340156 0.89 RET (0.48) RETTLK2BRD4MAPTLMNA
SCHEMBL6778312 0.89 RET (0.45) RETTLK2BRD4NTRK1FLT4
SCHEMBL6333337 0.89 RET (0.57) RETTLK2BRD4MAPTLMNA
SCHEMBL6336804 0.89 RET (0.48) RETTLK2BRD4
SCHEMBL6333166 0.88 RET (0.44) RETTLK2BRD4NTRK1FLT4
SCHEMBL6331156 0.88 RET (0.43) RETTLK2BRD4KDM4EALDH1A1

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.