SCHEMBL450030

SCHEMBL450030

CC(=O)N1Cc2cc(N)ccc2C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.44
NR1H2 P55055 1/20 0.42
NOTUM Q6P988 3/20 0.41
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
FSHR P23945 1/20 0.37
NAMPT P43490 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33

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
SCHEMBL20875568 0.88 NR1H2 (0.42) HSD17B3NR1H2NOTUMFSHRNAMPT
SCHEMBL20909756 0.85 WEE1 (0.43) HSD17B3NR1H2NAMPTHDAC8FPR1
SCHEMBL20180575 0.84 NR1H2 (0.44) HSD17B3NR1H2NOTUMCASP6GFER
SCHEMBL11988475 0.84 NOTUM (0.42) HSD17B3NOTUMBAZ2BNAMPTFPR1
SCHEMBL7655450 0.83 ESR1 (0.42) HSD17B3NR1H2NAMPTHDAC8FPR1
SCHEMBL446262 0.81 NR1H2 (0.64) NR1H2NAMPTHDAC1HDAC2WEE1
SCHEMBL29507872 0.81 NR1H2 (0.64) NR1H2NAMPTHDAC1HDAC2WEE1
SCHEMBL14590717 0.79 NOTUM (0.60) HSD17B3NR1H2NOTUMCASP6GFER
SCHEMBL444981 0.79 DPP7 (0.46) BAZ2BNAMPT
SCHEMBL6335311 0.78 NOTUM (0.59) HSD17B3NOTUMNAMPT

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 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
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use 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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 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 (11 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 HSD17B3 1160/4885NR1H2 613/4885NOTUM 2149/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HSD17B3 1709/4885NR1H2 862/4885NOTUM 1635/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HSD17B3 1160/4885NR1H2 613/4885NOTUM 2149/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HSD17B3 1385/4885NR1H2 587/4885NOTUM 1596/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HSD17B3 1519/4885NR1H2 375/4885NOTUM 2089/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HSD17B3 1160/4885NR1H2 613/4885NOTUM 2149/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HSD17B3 1151/4885NR1H2 1340/4885NOTUM 1719/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 HSD17B3 2468/4885NR1H2 801/4885NOTUM 2114/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HSD17B3 1160/4885NR1H2 613/4885NOTUM 2149/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HSD17B3 1151/4885NR1H2 1340/4885NOTUM 1719/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HSD17B3 1519/4885NR1H2 375/4885NOTUM 2089/4885

“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.