SCHEMBL460612

SCHEMBL460612

c1ccc2c(Oc3n[nH]c4ccccc34)n[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.68
KDM4E B2RXH2 5/20 0.56
GAA P10253 2/20 0.56
PDPK1 O15530 1/20 0.56
CYP3A4 P08684 1/20 0.56
CNR1 P21554 3/20 0.53
CNR2 P34972 3/20 0.53
IDO1 P14902 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ALPL P05186 1/20 0.52
HPGD P15428 1/20 0.52
TTK P33981 1/20 0.52
MAPK10 P53779 1/20 0.52
CYP1A2 P05177 1/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
LRRK2 Q5S007 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4057113 0.88 RARG (0.60) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL1966860 0.83 CNR1 (0.59) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL31134461 0.83 CNR1 (0.59) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL516942 0.82 RARG (0.54) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL4193104 0.81 RARG (0.53) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL5943485 0.81 RARG (0.53) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL28880065 0.79 RARG (0.51) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL31073819 0.78 CNR2 (0.58) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL21965345 0.78 RARG (0.50) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL4193108 0.78 RARG (0.50) RARGKDM4EGAAPDPK1CYP3A4

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 50 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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
WO-2011039388-A3 3-INDAZOLYL ETHER FAMILY WITH CANNABINOID AND/OR CHOLINERGIC PROPERTIES UNIVERSIDAD REY JUAN CARLOS (ES) 2011-05-26 WO 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
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 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-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO 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 (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 RARG 4300/4885KDM4E 922/4885GAA 903/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO RARG 3791/4885KDM4E 1133/4885GAA 819/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RARG 3482/4885KDM4E 1013/4885GAA 999/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RARG 3920/4885KDM4E 850/4885GAA 454/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 RARG 3920/4885KDM4E 850/4885GAA 454/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RARG 3482/4885KDM4E 1013/4885GAA 999/4885

“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.