SCHEMBL2408698

SCHEMBL2408698

N#CCC(=O)c1nc2ccccc2nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
KHK P50053 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4A O75164 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RXFP1 Q9HBX9 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL2412550 0.77 MAPT (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2CYP1A2
SCHEMBL23012588 0.76 ALDH1A1 (0.64) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL2407840 0.75 KDM4E (0.41) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL2407795 0.71 TDP1 (0.42) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL13641617 0.69 MAPT (0.63) ALDH1A1GAAMAPTKDM4ECYP2C19
SCHEMBL30753427 0.69 MAPT (0.63) ALDH1A1GAAMAPTKDM4ECYP2C19
SCHEMBL740028 0.67 CTNNB1 (0.53) ALDH1A1GAAMAPTSMN1; SMN2CYP2C19
SCHEMBL21379738 0.66 MAPT (0.61) ALDH1A1GAAMAPTKDM4ECYP2C19
SCHEMBL5162814 0.66 MGAM (0.56) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL2413263 0.66 MAPT (0.37) ALDH1A1GAAMAPTKDM4ESMN1; SMN2

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 ALDH1A1 619/4885GAA 3618/4885MAPT 4404/4885

“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.