SCHEMBL15972152

SCHEMBL15972152

Nc1nc(C2CCN(C(=O)O)CC2)cc(Cl)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
UBE2M P61081 3/20 0.34
DCUN1D1 Q96GG9 3/20 0.34
MAP3K12 Q12852 1/20 0.34
SPR P35270 2/20 0.34
TP53 P04637 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
BTK Q06187 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
SCHEMBL16212295 0.75 HPGD (0.35) HSD11B1ALDH1A1HPGDKDM4EUBE2M
SCHEMBL15971706 0.75 BTK (0.37) MAP3K12DRD2DRD4BTKCCNC
SCHEMBL17844394 0.72 SCD (0.37) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL4706092 0.71 SCD5 (0.34) ALDH1A1HPGDKDM4EMAP3K12SPR
SCHEMBL27822866 0.70 DRD2 (0.37) DRD2DRD4DRD3BTKCCNC
SCHEMBL21275501 0.70 RAB9A (0.43) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29924785 0.70 UBE2M (0.41) HSD11B1ALDH1A1GAAUBE2MDCUN1D1
SCHEMBL20266326 0.70 UBE2M (0.41) HSD11B1ALDH1A1GAAUBE2MDCUN1D1
SCHEMBL29668662 0.70 HTR1A (0.50) ALDH1A1GAAUBE2MDCUN1D1MAP3K12
SCHEMBL594986 0.69 PDE10A (0.47) ALDH1A1HPGDKDM4EDRD2BTK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856252-B2 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-01-02 US disclosed
EP-2958898-B1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2017-07-19 EP disclosed
US-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2016-08-04 US disclosed
EP-2958898-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE Cancer Therapeutics Crc Pty Limited (AU) 2015-12-30 EP disclosed
WO-2014128465-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2014-08-28 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 (1 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-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE B2M, HBG2, BCAT2 HSD11B1 3292/4885ALDH1A1 937/4885HPGD 4117/4885

“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.