SCHEMBL2437314

SCHEMBL2437314

CCOC(=O)CC(=O)Nc1cc(-c2nc3c(nc2C)OCCC3)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
PDE10A Q9Y233 4/20 0.37
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PPARG P37231 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALPL P05186 1/20 0.32
KDM4E B2RXH2 4/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL2440896 0.96 PKM (0.43) PKMPDE10AKMT2AHPGDMEN1
SCHEMBL14120046 0.81 PKM (0.51) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2441561 0.77 PKM (0.47) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2436269 0.77 PKM (0.47) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2436255 0.76 MAPK1 (0.50) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2437526 0.76 PKM (0.44) PKMPDE10AKMT2AHPGDMEN1
SCHEMBL2435765 0.74 PKM (0.46) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2444983 0.74 PKM (0.44) PKMPDE10AKMT2AHPGDMEN1
SCHEMBL2436439 0.74 PKM (0.46) PKMKMT2AHPGDMEN1MAPK1
SCHEMBL2439533 0.72 PKM (0.45) PKMKMT2AHPGDMEN1MAPK1

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
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

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 PKM 296/4885PDE10A 5/4885KMT2A 1357/4885

“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.