SCHEMBL2679562

SCHEMBL2679562

CC(C)(C)OC(=O)C1CCC(c2cc(O)n3nccc3n2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM5 P41594 3/20 0.33
UCHL1 P09936 1/20 0.33
HTRA1 Q92743 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL7884734 1.00 GPR119 (0.35) GPR119USP30CYP1A2POLBCYP3A4
SCHEMBL2679971 0.90 CHEK1 (0.43) GPR119USP30CYP1A2POLBCYP3A4
SCHEMBL7874417 0.90 PDE10A (0.36) GPR119USP30CYP1A2POLBCYP3A4
SCHEMBL588163 0.90 PDE10A (0.36) GPR119USP30CYP1A2POLBCYP3A4
SCHEMBL7882040 0.90 CHEK1 (0.43) GPR119USP30CYP1A2POLBCYP3A4
SCHEMBL1024592 0.84 PDE10A (0.37) GPR119USP30TRPV3NPSR1MEN1
SCHEMBL6893617 0.84 PDE10A (0.37) GPR119USP30TRPV3NPSR1MEN1
SCHEMBL593570 0.82 TRPV3 (0.47) GPR119USP30TRPV3NPSR1MEN1
SCHEMBL11931237 0.81 TRPV3 (0.48) GPR119USP30HDAC6TRPV3MEN1
SCHEMBL2679513 0.81 DGAT1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GPR119 807/4885USP30 3062/4885CYP1A2 4218/4885

“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.