SCHEMBL17962178

SCHEMBL17962178

CC(C)(C)OC(=O)N1CCC=C(c2cnc(N)c([N+](=O)[O-])c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MET P08581 1/20 0.39
CYP11B2 P19099 1/20 0.38
DGAT2 Q96PD7 1/20 0.36
PIK3CA P42336 3/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
KCNH2 Q12809 1/20 0.35
BTK Q06187 1/20 0.35
ESR2 Q92731 1/20 0.35
ATR Q13535 1/20 0.35
NAMPT P43490 1/20 0.35
P2RX3 P56373 1/20 0.34
MAP4K4 O95819 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34

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
SCHEMBL30473728 0.87 PIK3CD (0.38) MAPTALDH1A1LMNAMETCYP11B2
SCHEMBL25431411 0.87 PIK3CD (0.38) MAPTALDH1A1LMNAMETCYP11B2
SCHEMBL15972208 0.85 INPPL1 (0.34) MAPTALDH1A1
SCHEMBL15984966 0.85 CYP11B2 (0.53) NR1H2CYP11B2GPR119BTKATR
SCHEMBL15985060 0.78 MAPT (0.42) NR1H2MAPTALDH1A1LMNAMET
SCHEMBL29709685 0.78 MAPT (0.43) NR1H2MAPTALDH1A1LMNAMET
SCHEMBL24794750 0.78 MAPT (0.43) NR1H2MAPTALDH1A1LMNAMET
SCHEMBL856311 0.78 PIK3CA (0.48) NR1H2PIK3CAMTOR
SCHEMBL21275231 0.77 NR1H2 (0.50) NR1H2MAPTALDH1A1LMNAMET
SCHEMBL6484230 0.77 MAPT (0.58) NR1H2MAPTALDH1A1LMNAMET

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
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
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

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 NR1H2 4318/4885MAPT 4755/4885ALDH1A1 937/4885

“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.