SCHEMBL4495110

SCHEMBL4495110

NCCNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC2A1 P11166 2/20 0.35
KDR P35968 5/20 0.35
FLT4 P35916 2/20 0.35
FLT3 P36888 2/20 0.35
KIT P10721 1/20 0.35
CES1 P23141 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL4491667 0.96 PLK1 (0.37) HDAC1PLK1MEN1LMNAKMT2A
SCHEMBL4493369 0.91 CES1 (0.39) HDAC1MEN1KMT2ANPSR1CES1
SCHEMBL4493365 0.91 CES1 (0.39) HDAC1MEN1KMT2ANPSR1CES1
SCHEMBL4495134 0.89 PLK1 (0.47) PLK1MEN1LMNAKMT2ACES1
SCHEMBL4495139 0.89 PLK1 (0.47) PLK1MEN1LMNAKMT2ACES1
SCHEMBL4489902 0.88 PLK1 (0.40) PLK1MEN1KMT2AKDRFLT4
SCHEMBL4489906 0.88 PLK1 (0.40) PLK1MEN1KMT2AKDRFLT4
SCHEMBL4492220 0.88 PDCD1 (0.40) MEN1LMNAKMT2ANPSR1SLC2A1
SCHEMBL4488157 0.88 MARS1 (0.41) MEN1LMNAKMT2ANPSR1SLC2A1
SCHEMBL4496959 0.87 CD274 (0.41) SLC2A1KDRFLT4FLT3CNR1

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HDAC1 3369/4885PLK1 86/4885MEN1 1288/4885

“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.