SCHEMBL445071

SCHEMBL445071

NCc1ccnc(NCCCN2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.55
GSK3B P49841 1/20 0.55
MKNK1 Q9BUB5 6/20 0.51
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
RAD52 P43351 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAC1 P63000 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TYRO3 Q06418 1/20 0.46
MERTK Q12866 1/20 0.46
GAS6 Q14393 1/20 0.46

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
SCHEMBL5102956 0.84 CDK4 (0.53) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL12015772 0.80 CDK4 (0.53) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL1090555 0.80 CXCR4 (0.61) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL4389383 0.76 MKNK1 (0.56) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL446124 0.76 CYP3A4 (0.51) KMT2ALMNAPOLBKDM4ENPC1
SCHEMBL3648590 0.75 MKNK1 (0.61) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL580579 0.75 CDK4 (0.66) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL2943473 0.74 TYRO3 (0.50) CDK4GSK3BKMT2ALMNAPOLB
SCHEMBL5596422 0.74 CDK4 (0.47) CDK4GSK3BMKNK1KMT2ALMNA
SCHEMBL18699224 0.74 HTR1A (0.56) GSK3BKMT2ALMNAPOLBKDM4E

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 46 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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US 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-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP 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
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (9 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CDK4 1462/4885GSK3B 2357/4885MKNK1 3734/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CDK4 760/4885GSK3B 2431/4885MKNK1 3759/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CDK4 615/4885GSK3B 2732/4885MKNK1 3761/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CDK4 675/4885GSK3B 1505/4885MKNK1 3261/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CDK4 957/4885GSK3B 371/4885MKNK1 2839/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CDK4 675/4885GSK3B 1505/4885MKNK1 3261/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CDK4 957/4885GSK3B 371/4885MKNK1 2839/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CDK4 615/4885GSK3B 2732/4885MKNK1 3761/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CDK4 807/4885GSK3B 1337/4885MKNK1 4157/4885

“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.