SCHEMBL445266

SCHEMBL445266

O=CN(c1cccc(C(F)(F)F)c1)c1cccnc1NCCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
VNN1 O95497 2/20 0.42
APAF1 O14727 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GRIN1 Q05586 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
SCHEMBL6105262 0.88 MEN1 (0.46) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6104000 0.83 VNN1 (0.43) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL444537 0.82 DRD2 (0.42) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6104554 0.80 KDM4E (0.42) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6103868 0.80 KDM4E (0.48) ALDH1A1LMNAHPGDKDM4E
SCHEMBL6106239 0.80 KDR (0.41) L3MBTL1ALDH1A1LMNAMAPTHPGD
SCHEMBL6107996 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6105745 0.79 KDR (0.41) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL6104168 0.79 KDR (0.36) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL448285 0.78 KDR (0.38) MEN1KMT2AALDH1A1LMNAVNN1

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 17 patents. 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US 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-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-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (6 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 L3MBTL1 1694/4885MEN1 846/4885KMT2A 960/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO L3MBTL1 2156/4885MEN1 1464/4885KMT2A 1313/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO L3MBTL1 1828/4885MEN1 1584/4885KMT2A 1046/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC L3MBTL1 1694/4885MEN1 846/4885KMT2A 960/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO L3MBTL1 1828/4885MEN1 1584/4885KMT2A 1046/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO L3MBTL1 2156/4885MEN1 1464/4885KMT2A 1313/4885

“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.