SCHEMBL2407795

SCHEMBL2407795

Cc1cc2ccccc2nc1C(=O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
PDE10A Q9Y233 1/20 0.41
AGPAT2 O15120 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 3/20 0.40
STAT3 P40763 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MBNL1 Q9NR56 1/20 0.37

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 0.80 MAPT (0.43) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2329568 0.76 ALDH1A1 (0.59) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL27822691 0.76 TDP1 (0.52) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2407840 0.75 KDM4E (0.41) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL16992688 0.74 IKBKB (0.53) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2413263 0.74 MAPT (0.37) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2407906 0.74 KDM4E (0.35) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL11096992 0.73 TDP1 (0.49) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2409453 0.73 KDM4E (0.66) TDP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2408104 0.72 ALDH1A1 (0.58) KMT2AALDH1A1KDM4EMEN1HPGD

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 TDP1 290/4885KMT2A 1357/4885ALDH1A1 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.