SCHEMBL14720342

SCHEMBL14720342

CC(=O)C(C#N)Cc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
FAP Q12884 2/20 0.42
LMNA P02545 4/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
CTBP2 P56545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FPR1 P21462 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 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
SCHEMBL12173472 0.87 PPARG (0.47) DPP4DPP8DPP9FAPLMNA
SCHEMBL13516020 0.82 PPARG (0.41) DPP4DPP8DPP9FAPPPARG
SCHEMBL13734997 0.77 CTSC (0.50)
Water SCHEMBL6343486 0.77 CTSC (0.50)
SCHEMBL1245187 0.77 CTSC (0.50)
SCHEMBL6688791 0.77 PPARG (0.49) DPP4LMNAPPARGPPARAMAOB
SCHEMBL14720120 0.76 PNMT (0.41) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL198401 0.75 DPP4 (0.40) DPP4DPP8DPP9FAPLMNA
SCHEMBL31112170 0.75 PPARG (0.44) DPP4LMNAPPARGPPARAMAOB
SCHEMBL9817764 0.75 PPARG (0.44) DPP4LMNAPPARGPPARAMAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B DPP4 769/4885DPP8 773/4885DPP9 686/4885

“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.