SCHEMBL6330739

SCHEMBL6330739

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.43
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
ROCK2 O75116 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
SCHEMBL6330730 1.00 RET (0.43) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL7480959 1.00 RET (0.43) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6331150 0.94 RET (0.42) RETHTR1AHTR1DHTR2AHTR2C
SCHEMBL6331159 0.94 RET (0.42) RETHTR1AHTR1DHTR2AHTR2C
SCHEMBL6338488 0.92 RET (0.42) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6338483 0.92 RET (0.42) RETHTR1AHTR1DHTR1BHTR2A
SCHEMBL6329682 0.90 RET (0.48) RETKMT2AMEN1ATMKDM4E
SCHEMBL6329674 0.90 RET (0.48) RETKMT2AMEN1ATMKDM4E
SCHEMBL6336573 0.89 RET (0.43) RETHTR7KMT2AMEN1ATM
SCHEMBL6336574 0.89 RET (0.43) RETHTR7KMT2AMEN1ATM

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 154/4885HTR1A 167/4885HTR1D 148/4885

“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.