SCHEMBL445045

SCHEMBL445045

O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cccnc1NCc1ccnc(NCCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.48
▸ MAPK14 Q16539 3/20 0.46
▸ LCK P06239 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ KCNH2 Q12809 4/20 0.44
▸ CHRNA7 P36544 3/20 0.44
▸ MERTK Q12866 4/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ GAS6 Q14393 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ BRAF P15056 1/20 0.41

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
SCHEMBL448435 0.94 KDR (0.54) ABCB1MAPK14LCKKDRKCNH2
SCHEMBL446455 0.91 ABCB1 (0.49) ABCB1MAPK14LCKKDRKCNH2
SCHEMBL450109 0.87 LCK (0.56) MAPK14LCKKDRKCNH2SLC6A2
SCHEMBL450014 0.81 ABCB1 (0.53) ABCB1KDRKCNH2SLC6A2HTR2A
SCHEMBL445352 0.79 ABCB1 (0.54) ABCB1KDRKCNH2SLC6A2HTR2A
SCHEMBL3151940 0.77 ABCB1 (0.63) ABCB1KDR
SCHEMBL1657402 0.75 KDR (0.62) KDR
SCHEMBL430412 0.74 KDR (0.65) ABCB1KDR
SCHEMBL448181 0.74 KDR (0.43) ABCB1LCKKDR
SCHEMBL427072 0.73 KDR (0.52) ABCB1KDRMERTKNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 — — US claimed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 — — US claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO claimed
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-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 — — US disclosed
EP-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 — — EP 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-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
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US 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 ABCB1 237/4885MAPK14 2780/4885LCK 1884/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ABCB1 223/4885MAPK14 2554/4885LCK 2263/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ABCB1 153/4885MAPK14 2566/4885LCK 2029/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ABCB1 153/4885MAPK14 2566/4885LCK 2029/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ABCB1 223/4885MAPK14 2554/4885LCK 2263/4885

“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.

Send feedback