SCHEMBL601848

SCHEMBL601848

C[Si](C)(C)CCOCn1cc(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ DGAT1 O75907 4/20 0.32
▸ KLKB1 P03952 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
SCHEMBL31313834 0.79 DGAT1 (0.30) DGAT1
SCHEMBL584369 0.76 KLKB1 (0.35) DGAT1KLKB1
SCHEMBL25287756 0.74 DGAT1 (0.37) DGAT1KLKB1
SCHEMBL20299094 0.72 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL600252 0.72 P2RX7 (0.32) —
SCHEMBL13132636 0.71 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2754355 0.70 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13560702 0.69 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16427315 0.67 PIM1 (0.37) DGAT1
SCHEMBL17459560 0.67 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3

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-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
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
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
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 DRD2 4779/4885DRD1 4672/4885DRD4 4671/4885

“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.

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