SCHEMBL7874417

SCHEMBL7874417

CC(C)(C)OC(=O)[C@@H]1CC[C@H](c2cc(Cl)n3nccc3n2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 3/20 0.35
USP30 Q70CQ3 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
ALDH1A1 P00352 1/20 0.33
UCHL1 P09936 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
HCRTR2 O43614 1/20 0.32
HTRA1 Q92743 1/20 0.32
EPHX2 P34913 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
SCHEMBL588163 1.00 PDE10A (0.36) PDE10AGRM5USP30GPR119ALDH1A1
SCHEMBL2679562 0.90 GPR119 (0.35) PDE10AGRM5USP30GPR119UCHL1
SCHEMBL7884734 0.90 GPR119 (0.35) PDE10AGRM5USP30GPR119UCHL1
SCHEMBL7882040 0.88 CHEK1 (0.43) PDE10AGRM5USP30GPR119UCHL1
SCHEMBL2679971 0.88 CHEK1 (0.43) PDE10AGRM5USP30GPR119UCHL1
SCHEMBL10277658 0.83 PDE10A (0.41) PDE10AGPR119ALDH1A1CYP1A2POLB
SCHEMBL6892588 0.83 PDE10A (0.41) PDE10AGPR119ALDH1A1CYP1A2POLB
SCHEMBL594178 0.83 GPR119 (0.45) USP30GPR119ALDH1A1
SCHEMBL11931256 0.82 TRPV3 (0.45) USP30GPR119ALDH1A1
SCHEMBL2679455 0.81 GPR119 (0.48) GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PDE10A 3001/4885GRM5 1087/4885USP30 3062/4885

“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.