SCHEMBL2084870

SCHEMBL2084870

CCOC(=O)c1c(SCc2ccccc2)nn2c(Cl)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.40
PDE4B Q07343 1/20 0.40
GRM6 O15303 1/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL2085426 0.89 TP53 (0.44) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL2084104 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4120366 0.83 PDE4B (0.52) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL2085947 0.76 SMN1; SMN2 (0.46) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4114844 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL9792968 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL2084473 0.73 KDM4E (0.56) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL2085486 0.73 GABRP (0.46) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4114389 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL4109766 0.71 KDM4E (0.50) ALDH1A1KDM4EMAPTHPGDL3MBTL1

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-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-B1 Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonists MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR ALDH1A1 2507/4885KDM4E 1550/4885MAPT 4458/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR ALDH1A1 2256/4885KDM4E 1486/4885MAPT 4396/4885

“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.