SCHEMBL2467305

SCHEMBL2467305

COC(=O)c1cc(C)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
BLM P54132 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 2/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL6889759 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL13188224 0.84 GRM2 (0.55) ALDH1A1KDM4EALOX15SMN1; SMN2
SCHEMBL31389316 0.84 KDM4E (0.54) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL561686 0.84 KDM4E (0.54) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL72379 0.84 KDM4E (0.70) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL2377166 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EALOX15CYP1A2MAPT
SCHEMBL1694287 0.83 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL1315731 0.83 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL32681649 0.83 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL2072605 0.83 ALOX15 (0.77) ALDH1A1KDM4EMEN1KMT2AALOX15

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 WO disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A ALDH1A1 619/4885KDM4E 408/4885MEN1 2044/4885

“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.