SCHEMBL23210569

SCHEMBL23210569

CC(C)(C)OC(=O)N1CCC(F)(C(=O)NN)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B2 P19099 1/20 0.39
SCD5 Q86SK9 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
ACACB O00763 2/20 0.36
EPHX1 P07099 1/20 0.36
RORC P51449 2/20 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
SCHEMBL21145360 0.92 USP30 (0.49) USP30HDAC2HDAC1USP2SMN1; SMN2
SCHEMBL27096725 0.91 USP2 (0.45) USP30HDAC2HDAC1USP2SMN1; SMN2
SCHEMBL2325402 0.82 USP30 (0.44) USP30HDAC2HDAC1USP2SMN1; SMN2
SCHEMBL14962730 0.82 USP30 (0.44) USP30HDAC2HDAC1USP2SMN1; SMN2
SCHEMBL14962727 0.82 USP30 (0.44) USP30HDAC2HDAC1USP2SMN1; SMN2
SCHEMBL14956683 0.82 USP30 (0.48) USP30HDAC2USP2SMN1; SMN2CYP11B2
SCHEMBL22702639 0.82 USP30 (0.46) USP30HDAC2USP2SMN1; SMN2CYP11B2
SCHEMBL30075806 0.82 USP30 (0.46) USP30HDAC2USP2SMN1; SMN2CYP11B2
SCHEMBL23578670 0.82 USP30 (0.46) USP30HDAC2USP2SMN1; SMN2CYP11B2
SCHEMBL15496342 0.82 USP30 (0.46) USP30HDAC2USP2SMN1; SMN2CYP11B2

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-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
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-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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 USP30 3944/4885HDAC2 2806/4885HDAC1 3941/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 USP30 3944/4885HDAC2 2806/4885HDAC1 3941/4885
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 USP30 3944/4885HDAC2 2806/4885HDAC1 3941/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 USP30 3944/4885HDAC2 2806/4885HDAC1 3941/4885

“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.