SCHEMBL583583

SCHEMBL583583

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
BCL2A1 Q16548 2/20 0.36
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 2/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL590602 0.90 HDAC1 (0.33) HDAC1PDE10A
SCHEMBL2679917 0.89 NPC1 (0.39) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL10238600 0.89 NPC1 (0.37) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL619336 0.85 ERAP1 (0.38) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL584040 0.84 ATR (0.41) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL598854 0.83 BRD4 (0.31)
SCHEMBL10280674 0.81 HDAC1 (0.32) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL598856 0.81 TDP2 (0.31)
SCHEMBL6893430 0.81 NPC1 (0.44) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL2695741 0.81 HDAC1 (0.30) HDAC1

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
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

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 HDAC1 426/4885NPC1 348/4885RAB9A 720/4885

“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.