Sugi Predict

Sugi Predict / Compounds / SCHEMBL584727

SCHEMBL584727

SCHEMBL584727

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(CC#N)C2)nc2ccnn12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.33
▸ CDK9 P50750 5/20 0.32
▸ CDK7 P50613 3/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK13 Q14004 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CCNT1 O60563 4/20 0.31
▸ CCNH P51946 2/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CDK3 Q00526 1/20 0.30
▸ CDK6 Q00534 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
SCHEMBL584228 0.94 PDE10A (0.34) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL7886481 0.88 CRHR1 (0.35) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL2680142 0.84 — —
SCHEMBL7874289 0.84 PDE10A (0.36) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL15807254 0.83 CDK9 (0.33) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL15807249 0.83 CDK9 (0.33) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL14298075 0.83 CDK9 (0.33) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL15026289 0.81 CDK2 (0.38) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL20646 0.81 PDE10A (0.36) CRHR1CDK9CDK7CDK2CDK13
SCHEMBL10280538 0.80 PDE10A (0.38) CDK9CDK7CDK2CDK13CDK12

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 CRHR1 2689/4885CDK9 299/4885CDK7 643/4885

“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.