SCHEMBL2441949

SCHEMBL2441949

CCOC(=O)CC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)ccc3nc2C)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
DHFR P00374 2/20 0.41
F2 P00734 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.37
DYRK1A Q13627 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1D P48730 1/20 0.36
AGPAT2 O15120 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14346420 0.89 KDM4E (0.41) DHFRKDM4EDYRK1AGSK3BCSNK1D
SCHEMBL2439533 0.88 PKM (0.45) PKMKDM4EMAPK1TSHRHPGD
SCHEMBL2436439 0.88 PKM (0.46) PKMF2CYP1A2CYP2C9CYP2C19
SCHEMBL2435765 0.88 PKM (0.46) PKMF2CYP1A2CYP2C9CYP2C19
SCHEMBL2436255 0.86 MAPK1 (0.50) PKMKDM4EMAPK1TSHRHPGD
SCHEMBL2441561 0.85 PKM (0.47) PKMKDM4EMAPK1TSHRHPGD
SCHEMBL2436315 0.82 MAPK1 (0.46) PKMF2CYP1A2CYP2C9CYP2C19
SCHEMBL14120046 0.81 PKM (0.51) PKMF2CYP1A2CYP2C9CYP2C19
SCHEMBL2441230 0.78 PKM (0.42) PKMMAPK1TSHRHPGDMEN1
SCHEMBL2439066 0.78 PKM (0.45) PKMF2CYP1A2CYP2C9CYP2C19

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
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
CN-102770435-A Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2012-11-07 CN 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 296/4885DHFR 252/4885F2 3520/4885

“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.