Sugi Predict

Sugi Predict / Compounds / SCHEMBL584133

SCHEMBL584133

SCHEMBL584133

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCN(C(=O)O)CC2)nc2ccnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ HTR1D P28221 2/20 0.31
▸ HTR3A P46098 2/20 0.31
▸ HTR6 P50406 2/20 0.31
▸ TMEM97 Q5BJF2 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MRGPRX2 Q96LB1 1/20 0.31

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
SCHEMBL595760 0.88 KDM4E (0.42) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL2725294 0.88 PDE4D (0.36) ALDH1A1KDM4EHSD17B10PDE10ACRHR1
SCHEMBL584429 0.87 TRPC3 (0.45) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL14246192 0.86 CDK2 (0.31) PDE10ACRHR1CCNA2CDK2CCNA1
SCHEMBL2731790 0.86 CDK2 (0.31) PDE10ACRHR1CCNA2CDK2CCNA1
SCHEMBL2680004 0.85 PDE10A (0.37) PDE10ACRHR1CCNA2CDK2CCNA1
SCHEMBL2680006 0.85 PDE10A (0.37) PDE10ACRHR1CCNA2CDK2CCNA1
SCHEMBL2680819 0.85 TRPV3 (0.39) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL15026289 0.85 CDK2 (0.38) PDE10ACRHR1HTR1DHTR3AHTR6
SCHEMBL1072955 0.85 DGAT1 (0.37) PDE10ACRHR1CCNA2CDK2CCNA1

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 6 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
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 — — EP disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP 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 HPGD 2087/4885ALDH1A1 3479/4885KDM4E 1448/4885

“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.