SCHEMBL2441561

SCHEMBL2441561

CCOC(=O)CC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3nc2C)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.41
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ATM Q13315 2/20 0.33
NLRP3 Q96P20 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2436255 0.90 MAPK1 (0.50) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2436439 0.89 PKM (0.46) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2435765 0.89 PKM (0.46) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL14120046 0.89 PKM (0.51) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2439533 0.88 PKM (0.45) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2439066 0.86 PKM (0.45) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2440866 0.86 PKM (0.45) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2441949 0.85 PKM (0.43) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2441230 0.83 PKM (0.42) PKMMAPK1HPGDMEN1KMT2A
SCHEMBL2436269 0.82 PKM (0.47) PKMMAPK1HPGDMEN1KMT2A

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 296/4885MAPK1 286/4885HPGD 624/4885

“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.