SCHEMBL445073

SCHEMBL445073

CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3F)ccc2C(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
POLB P06746 1/20 0.39
NAMPT P43490 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
WEE1 P30291 1/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
THRB P10828 1/20 0.37
LCLAT1 Q6UWP7 1/20 0.37
PTPN11 Q06124 1/20 0.37
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL3818526 0.90 POLB (0.50) NR1H2POLBRAB9AKDRMEN1
SCHEMBL4975909 0.90 VCP (0.43) NR1H2POLBNAMPTNPC1RAB9A
SCHEMBL449101 0.87 LCLAT1 (0.40) NPC1RAB9AKDRLCLAT1CIT
SCHEMBL5426130 0.87 NR1H2 (0.43) NR1H2POLBNAMPTKDRTHRB
SCHEMBL6105662 0.85 KDR (0.51) KDRCITMAP3K7RIPK2STK10
SCHEMBL5626772 0.84 NR1H2 (0.41) NR1H2NAMPTNPC1RAB9AWEE1
SCHEMBL3155809 0.83 KDR (0.44) NR1H2NAMPTKDRCITMAP3K7
SCHEMBL5425900 0.83 NR1H2 (0.42) NR1H2NPC1RAB9AWEE1PIK3CA
SCHEMBL4972095 0.83 CIT (0.37) NR1H2POLBNAMPTNPC1RAB9A
SCHEMBL3815901 0.82 KDR (0.40) NR1H2NAMPTRAB9AWEE1KDR

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 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 (11 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885POLB 1312/4885NAMPT 98/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NR1H2 862/4885POLB 687/4885NAMPT 377/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885POLB 1312/4885NAMPT 98/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NR1H2 587/4885POLB 648/4885NAMPT 336/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NR1H2 375/4885POLB 655/4885NAMPT 261/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885POLB 1312/4885NAMPT 98/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885POLB 591/4885NAMPT 117/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885POLB 1312/4885NAMPT 98/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885POLB 591/4885NAMPT 117/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NR1H2 862/4885POLB 687/4885NAMPT 377/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NR1H2 375/4885POLB 655/4885NAMPT 261/4885

“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.