SCHEMBL446128

SCHEMBL446128

COc1cc(CNc2ncccc2C(=O)Nc2cc(OCC3CCCN3)cc(C(F)(F)F)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.53
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CIT O14578 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL6013565 0.90 KDR (0.67) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL186584 0.90 KDR (0.67) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL3149972 0.89 KDR (0.52) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL446671 0.89 KDR (0.55) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL6105084 0.89 KDR (0.58) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL6103204 0.89 KDR (0.58) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL449203 0.87 KDR (0.51) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL449202 0.86 KDR (0.53) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL3141787 0.86 KDR (0.53) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL3155785 0.86 KDR (0.53) KDRMEN1MAPTKMT2AALDH1A1

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 13 patents. 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
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
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 KDR 15/4885MEN1 846/4885MAPT 4232/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885MEN1 1464/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885MEN1 1584/4885MAPT 4726/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885MEN1 846/4885MAPT 4232/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885MEN1 1584/4885MAPT 4726/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885MEN1 1464/4885MAPT 4734/4885

“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.