SCHEMBL426522

SCHEMBL426522

O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
MAPT P10636 8/20 0.66
KDR P35968 5/20 0.66
KDM4E B2RXH2 3/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
GLA P06280 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.51
PNLIP P16233 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL447285 0.85 MAPT (0.71) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL16007507 0.81 KDR (0.88) KMT2AMEN1MAPTKDRHTT
SCHEMBL429097 0.80 KDR (1.00) KDR
SCHEMBL15529069 0.79 KMT2A (0.82) KMT2AMEN1MAPTKDRKDM4E
Hydrochloric Acid SCHEMBL448754 0.79 KDR (0.98) KDR
SCHEMBL18979206 0.78 MEN1 (1.00) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL15528988 0.78 MEN1 (1.00) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL6104758 0.78 KDR (0.71) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL6105689 0.78 KDR (0.81) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL1632005 0.78 CYP1A2 (0.54) KMT2AMEN1MAPTKDM4ELMNA

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 27 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-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-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-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
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
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 KMT2A 960/4885MEN1 846/4885MAPT 4232/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KMT2A 1313/4885MEN1 1464/4885MAPT 4734/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KMT2A 1046/4885MEN1 1584/4885MAPT 4726/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KMT2A 960/4885MEN1 846/4885MAPT 4232/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KMT2A 1046/4885MEN1 1584/4885MAPT 4726/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KMT2A 1313/4885MEN1 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.