SCHEMBL2413809

SCHEMBL2413809

Cc1ccc2nc(C)[c]nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 4/20 0.42
NCK1 P16333 1/20 0.38
BACE1 P56817 1/20 0.38
CYP2A6 P11509 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL2413517 0.92 NQO2 (0.52) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL2407443 0.80 KDM4E (0.44) TDP1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL410281 0.76 MAPT (0.46) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL2409333 0.76 NQO2 (0.44) NQO2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL2756741 0.74 NQO2 (0.85) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL9927345 0.74 NQO2 (0.85) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL21131352 0.72 NQO2 (0.81) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL29892303 0.71 NQO2 (0.64) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL8443821 0.71 NQO2 (0.64) NQO2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL434975 0.70 NQO2 (0.70) NQO2TDP1ALDH1A1KDM4EL3MBTL1

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 NQO2 766/4885TDP1 290/4885ALDH1A1 619/4885

“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.