SCHEMBL15415768

SCHEMBL15415768

CC1CN(C(=O)OC(C)(C)C)CCC1(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
RORC P51449 2/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL15415766 1.00 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL15415767 0.88 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL30342356 0.85 RORC (0.43) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL27100472 0.85 RORC (0.43) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL31094785 0.83 USP2 (0.44) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL25187478 0.82 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL26099571 0.82 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL25484581 0.82 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL31094734 0.79 USP2 (0.41) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL21996469 0.79 NAMPT (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
CN-113329791-A 9-substituted amino-triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof 默沙东公司 2021-08-31 CN disclosed
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-04-15 US disclosed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 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 (3 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 USP2 3645/4885SMN1; SMN2 3440/4885NR1H2 1185/4885
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 USP2 3645/4885SMN1; SMN2 3440/4885NR1H2 1185/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 USP2 3645/4885SMN1; SMN2 3440/4885NR1H2 1185/4885

“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.