SCHEMBL2407840

SCHEMBL2407840

CCc1nc2ccccc2nc1C(=O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5B Q9UGL1 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 0.81 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2MAPTNMT2
SCHEMBL8079175 0.77 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2408698 0.75 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2407795 0.75 TDP1 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31456120 0.72 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MAPTNMT2
SCHEMBL2024265 0.72 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MAPTNMT2
SCHEMBL2090121 0.70 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL30605771 0.70 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2491027 0.70 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2413263 0.70 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2MAPTMEN1

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 KDM4E 408/4885ALDH1A1 619/4885SMN1; SMN2 2311/4885

“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.