SCHEMBL4487854

SCHEMBL4487854

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NAMPT P43490 3/20 0.38
HDAC1 Q13547 1/20 0.37
CDK2 P24941 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
POLB P06746 1/20 0.34
SLC2A1 P11166 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 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
SCHEMBL4493906 0.95 MARS1 (0.39) PDCD1CD274NAMPTHDAC1POLB
SCHEMBL4499192 0.93 NAMPT (0.44) NAMPTHDAC1GAAFPR3FPR2
SCHEMBL479895 0.90 PDCD1 (0.42) PDCD1CD274NAMPTHDAC1CDK2
SCHEMBL4486527 0.90 SLC2A1 (0.34) PDCD1CD274POLBSLC2A1NPC1
SCHEMBL4496959 0.88 CD274 (0.41) PDCD1CD274POLBSLC2A1NPC1
SCHEMBL4493172 0.88 S1PR1 (0.37)
SCHEMBL480833 0.88 MAPT (0.44) PDCD1CD274NAMPTHDAC1GAA
SCHEMBL479835 0.85 PDCD1 (0.38) PDCD1CD274NAMPTHDAC1FPR3
SCHEMBL4492220 0.84 PDCD1 (0.40) PDCD1CD274NAMPTPOLBSLC2A1
SCHEMBL4488157 0.84 MARS1 (0.41) PDCD1CD274POLBSLC2A1NPC1

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 PDCD1 710/4885CD274 880/4885NAMPT 3483/4885

“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.