SCHEMBL6330735

SCHEMBL6330735

CCCNCc1ccc(NC(C)C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.44
TLK2 Q86UE8 3/20 0.41
BRD4 O60885 2/20 0.38
HTR2A P28223 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 2/20 0.34
NTRK1 P04629 2/20 0.34
PARP1 P09874 1/20 0.34
NOX4 Q9NPH5 1/20 0.33
NTRK3 Q16288 1/20 0.33

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
SCHEMBL6331156 0.94 RET (0.43) RETTLK2BRD4HTR2AHTR1A
SCHEMBL6338486 0.92 RET (0.43) RETTLK2BRD4HTR2AHTR1A
SCHEMBL6329680 0.89 RET (0.49) RETTLK2BRD4HTR2AFLT4
SCHEMBL6337237 0.89 RET (0.43) RETTLK2BRD4FLT4KDR
SCHEMBL6778312 0.88 RET (0.45) RETTLK2BRD4HTR7FLT4
SCHEMBL6333166 0.87 RET (0.44) RETTLK2BRD4FLT4KDR
SCHEMBL6330676 0.86 RET (0.42) RETTLK2BRD4HTR2AHTR1A
SCHEMBL6329102 0.85 RET (0.45) RETTLK2BRD4FLT4KDR
SCHEMBL6779295 0.85 RET (0.51) RETTLK2BRD4NTRK1
SCHEMBL6335938 0.85 RET (0.46) RETTLK2BRD4FLT4KDR

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.