SCHEMBL583729

SCHEMBL583729

Nc1c(Br)c(Oc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDR P35968 2/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
ETV6 P41212 1/20 0.34
CYSLTR1 Q9Y271 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
SCHEMBL2679517 0.91 LMNA (0.38) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL10234482 0.89 MGAM (0.39) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL7883377 0.86 NPC1 (0.39) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL2680170 0.86 CHEK1 (0.40) SGK1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2680114 0.85 CHEK1 (0.39) SGK1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL10234494 0.83 PIK3CA (0.35) SGK1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2679955 0.83 PTGS2 (0.41) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL7885741 0.82 CHEK1 (0.43) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL10234555 0.81 KMT2A (0.34) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL7883778 0.79 SGK1 (0.38) SGK1NPC1SMN1; SMN2RAB9AHPGD

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 SGK1 553/4885NPC1 348/4885SMN1; SMN2 1798/4885

“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.