SCHEMBL22164

SCHEMBL22164

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(O)(CO)CC2)nc2ccnn12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
ESR2 Q92731 1/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
CRHR1 P34998 1/20 0.31
CHEK1 O14757 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL21303 0.90 CRHR1 (0.32) PDE10ACRHR1
SCHEMBL15031564 0.87 PDE10A (0.31) PDE10A
SCHEMBL15026289 0.85 CDK2 (0.38) PDE10ACCNT1CDK9CRHR1CHEK1
SCHEMBL26892 0.84 L3MBTL1 (0.34) PDE10A
SCHEMBL15007459 0.84 CRHR1 (0.31) PDE10ACRHR1
SCHEMBL10251938 0.84
SCHEMBL21316 0.84 CRHR1 (0.31) PDE10ACRHR1
SCHEMBL30713 0.83 PDE10A (0.34) PDE10ACCNT1CDK9CRHR1CHEK1
SCHEMBL28310 0.83 PDE10A (0.37) PDE10ACCNT1CDK9CRHR1CHEK1
SCHEMBL20930 0.83 PDE10A (0.32) PDE10ACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 EP disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 US disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2012027239-A1 NOVEL PYRAZOLO[1,5-a]PYRROLO[3,2-e]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 PDE10A 1123/4885ESR2 4146/4885CCNT1 333/4885

“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.