SCHEMBL4479205

SCHEMBL4479205

COCCN(C)C(=O)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PDK2 Q15119 3/20 0.35
KDM4E B2RXH2 1/20 0.33
NAMPT P43490 1/20 0.32
HDAC4 P56524 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TP53 P04637 1/20 0.31
HTR2C P28335 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL4479199 0.82 PIK3CD (0.35) PIK3CDKDM4ENAMPTHDAC4SLC6A2
SCHEMBL10304981 0.82 PIK3CD (0.35) PIK3CDKDM4ENAMPTHDAC4SLC6A2
SCHEMBL2067789 0.82 PIK3CD (0.35) PIK3CDKDM4ENAMPTHDAC4SLC6A2
SCHEMBL225257 0.80 ALDH1A1 (0.43) PIK3CDKDM4ENAMPTHDAC4SLC6A2
SCHEMBL13745485 0.80 SLC6A2 (0.36) PIK3CDKDM4ENAMPTHDAC4SLC6A2
SCHEMBL23506897 0.78 CNR1 (0.40) KDM4EALDH1A1CHRM2CHRM1
SCHEMBL22900125 0.77 KCNQ3 (0.41) PIK3CDKDM4ENAMPTHDAC4ALDH1A1
SCHEMBL11890394 0.77 PIK3CD (0.45) PIK3CDKDM4ENAMPTHDAC4CHRNB2
SCHEMBL23509386 0.77 ALDH1A1 (0.50) ALDH1A1CHRM2CHRM1
SCHEMBL13745079 0.77 TSHR (0.34) PIK3CDKDM4ENAMPTHDAC4SLC6A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US claimed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP claimed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US claimed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 WO claimed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 WO disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
US-4746359-A Hydroxyacetic acid amide derivatives, and herbicidal compositions containing them TOYO SODA MANUFACTURING CO., LTD. (JP) 1988-05-24 US disclosed
EP-0246600-A2 Hydroxyacetic acid amide derivatives, process for their production and herbicidal compositions containing them Tosoh Corporation (JP) 1987-11-25 EP 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-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF PIK3CD 571/4885PDK2 546/4885KDM4E 3917/4885

“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.