SCHEMBL427072

SCHEMBL427072

O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1NCC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.52
▸ ABCB1 P08183 1/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CRHR1 P34998 1/20 0.42

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
SCHEMBL18048989 0.92 KDR (0.62) KDRABCB1MEN1MAPTKMT2A
SCHEMBL18070967 0.86 KDR (0.60) KDRABCB1MEN1MAPTKMT2A
SCHEMBL18048950 0.84 KDR (0.47) KDRABCB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL18049016 0.83 KDR (0.56) KDRABCB1MEN1MAPTKMT2A
SCHEMBL18049014 0.82 KDR (0.64) KDRMEN1MAPTKMT2AKDM4E
SCHEMBL18048967 0.82 KDR (0.64) KDRABCB1MEN1MAPTKMT2A
SCHEMBL18070971 0.81 KDR (0.63) KDRMEN1MAPTKMT2AKDM4E
SCHEMBL18070919 0.81 KDR (0.63) KDRMEN1MAPTKMT2AKDM4E
SCHEMBL18048948 0.81 KDR (0.63) KDRMEN1MAPTKMT2AKDM4E
SCHEMBL18048976 0.81 KDR (0.58) KDRABCB1MEN1MAPTKMT2A

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 22 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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 — — US disclosed
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
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 — — US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 — — 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
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO 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
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — 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 (5 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 KDR 15/4885ABCB1 237/4885MEN1 846/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885ABCB1 153/4885MEN1 1584/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885ABCB1 237/4885MEN1 846/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885ABCB1 153/4885MEN1 1584/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885ABCB1 223/4885MEN1 1464/4885

“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.

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