SCHEMBL445863

SCHEMBL445863

CC1(C)Oc2ccc(NC(=O)c3cccnc3F)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
SYK P43405 3/20 0.43
KMT2A Q03164 1/20 0.43
MAP3K5 Q99683 1/20 0.42
ATM Q13315 1/20 0.42
LCLAT1 Q6UWP7 1/20 0.42
BRD4 O60885 1/20 0.41
KIT P10721 5/20 0.41
BRAF P15056 5/20 0.41
JAK1 P23458 2/20 0.40
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

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
SCHEMBL444760 0.80 KDR (0.66) KITBRAFJAK1CITMAP3K7
SCHEMBL3145019 0.75 TNKS (0.56) KDM4ENPC1KMT2AMAP3K5ATM
SCHEMBL449682 0.74 ATM (0.44) KDM4EALDH1A1SMN1; SMN2NPC1ATM
SCHEMBL4092040 0.74 ABL1 (0.55) KDM4EALDH1A1KMT2AATMLCLAT1
SCHEMBL447090 0.73 CIT (0.50) KDM4EKMT2ALCLAT1KITBRAF
SCHEMBL4978601 0.72 ABL1 (0.52) KDM4EALDH1A1NPC1KMT2AATM
SCHEMBL5421091 0.72 CIT (0.52) KDM4EALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL448118 0.72 ATM (0.42) KDM4EALDH1A1SMN1; SMN2NPC1ATM
SCHEMBL4973719 0.72 TRPV1 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL13545259 0.70 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1SYK

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 32 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
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 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
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 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 (12 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885ALDH1A1 178/4885SMN1; SMN2 2424/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM4E 922/4885ALDH1A1 389/4885SMN1; SMN2 1447/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885ALDH1A1 178/4885SMN1; SMN2 2424/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM4E 1133/4885ALDH1A1 261/4885SMN1; SMN2 2090/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885ALDH1A1 327/4885SMN1; SMN2 1829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885ALDH1A1 178/4885SMN1; SMN2 2424/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDM4E 850/4885ALDH1A1 192/4885SMN1; SMN2 1788/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885ALDH1A1 178/4885SMN1; SMN2 2424/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDM4E 850/4885ALDH1A1 192/4885SMN1; SMN2 1788/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM4E 922/4885ALDH1A1 389/4885SMN1; SMN2 1447/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885ALDH1A1 327/4885SMN1; SMN2 1829/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 KDM4E 883/4885ALDH1A1 104/4885SMN1; SMN2 2577/4885

“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.