SCHEMBL2410689

SCHEMBL2410689

Cc1nc(C)c(C(=O)CC#N)nc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 4/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.31
CA1 P00915 3/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2409459 0.80 PKM (0.31)
SCHEMBL2410314 0.80 KDM4E (0.34) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2412550 0.79 MAPT (0.43) KCNH2KDM4EMAPTALDH1A1MEN1
SCHEMBL2407906 0.79 KDM4E (0.35) KCNH2KDM4EMAPTALDH1A1MEN1
SCHEMBL2406851 0.79 POLB (0.36) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2406625 0.77 KCNH2 (0.34) KCNH2KDM4EMAPTALDH1A1MEN1
SCHEMBL2409584 0.76 MAPT (0.46) KCNH2KDM4EMAPTALDH1A1MEN1
SCHEMBL2408384 0.76 MAPT (0.46) KCNH2KDM4EMAPTALDH1A1MEN1
SCHEMBL10601144 0.74 CA12 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2CA12
SCHEMBL2413263 0.73 MAPT (0.37) KCNH2KDM4EMAPTALDH1A1MEN1

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 6 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
CN-102770435-A Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2012-11-07 CN 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 KCNH2 225/4885KDM4E 408/4885MAPT 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.