SCHEMBL2408104

SCHEMBL2408104

Cc1cc(C(=O)CC#N)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
GRM2 Q14416 3/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
BACE1 P56817 1/20 0.44
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CFTR P13569 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2377166 0.78 ALDH1A1 (0.73) ALDH1A1GRM2CYP2C9CYP2C19CYP1A2
SCHEMBL27941539 0.75 GRM2 (0.69) ALDH1A1GRM2CYP1A2BACE1
SCHEMBL28234814 0.74 ALDH1A1 (1.00) ALDH1A1GRM2CYP2C9CYP2C19CYP1A2
SCHEMBL5162814 0.74 MGAM (0.56) ALDH1A1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6889759 0.74 ALDH1A1 (0.61) ALDH1A1CYP1A2GAAKMT2ASMN1; SMN2
SCHEMBL2467305 0.73 ALDH1A1 (0.65) ALDH1A1CYP1A2GAAKMT2ASMN1; SMN2
SCHEMBL15369521 0.73 ALDH1A1 (0.65) ALDH1A1GRM2CYP2C9CYP2C19CYP1A2
SCHEMBL2407795 0.72 TDP1 (0.42) ALDH1A1GAAKMT2AKCNH2RXFP1
Methylamine SCHEMBL27877263 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL12677996 0.71 ALDH1A1 (0.58) ALDH1A1GRM2CYP2C9CYP2C19CYP1A2

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 619/4885GRM2 4129/4885CYP2C9 91/4885

“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.