SCHEMBL2679517

SCHEMBL2679517

COC(=O)Cc1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
FAAH O00519 2/20 0.36
PIK3CA P42336 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT1 P42224 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDR P35968 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL583729 0.91 SGK1 (0.36) PIK3CAHPGDKDM4EALDH1A1NPC1
SCHEMBL588657 0.87 CHEK1 (0.38) FAAHPIK3CAHPGDKDM4EALDH1A1
SCHEMBL10234482 0.85 MGAM (0.39) FAAHPIK3CAHPGDKDM4EALDH1A1
SCHEMBL2680440 0.85 LMNA (0.33) LMNAFAAHKDM4EMAPTHCAR2
SCHEMBL2679955 0.82 PTGS2 (0.41) LMNAHPGDKDM4EALDH1A1NPC1
SCHEMBL7882524 0.81 PIK3CA (0.37) FAAHPIK3CAHPGDKDM4EALDH1A1
SCHEMBL10234555 0.81 KMT2A (0.34) PIK3CAHPGDKDM4EALDH1A1NPC1
SCHEMBL7886861 0.80 LMNA (0.33) LMNAFAAHKDM4EMAPTHCAR2
SCHEMBL7883377 0.77 NPC1 (0.39) LMNAHPGDKDM4EALDH1A1NPC1
SCHEMBL2680170 0.77 CHEK1 (0.40) PIK3CAHPGDKDM4EALDH1A1NPC1

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 5 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
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 LMNA 3708/4885FAAH 4486/4885PIK3CA 34/4885

“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.