Sugi Predict

Sugi Predict / Compounds / SCHEMBL14720213

SCHEMBL14720213

SCHEMBL14720213

CCC(=O)C(C#N)Cc1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ CTSG P08311 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ADA P00813 1/20 0.34
▸ PTPRC P08575 1/20 0.34

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
SCHEMBL15856089 0.86 PNMT (0.39) PNMTCTSGCMA1TAAR1SLC6A2
SCHEMBL14720120 0.85 PNMT (0.41) PNMTTAS1R3TAS1R1TAS1R2CTSG
SCHEMBL14720225 0.84 PNMT (0.42) PNMTCTSGCMA1TAAR1SLC6A2
SCHEMBL14720157 0.83 ALDH1A1 (0.40) PNMTTAS1R3TAS1R1TAS1R2SLC6A2
SCHEMBL14720327 0.79 PDK1 (0.38) PNMTCTSGCMA1TAAR1SLC6A2
SCHEMBL3921761 0.73 PNMT (0.47) PNMTTAAR1SLC6A2SLC6A4IDO1
SCHEMBL6824457 0.73 PNMT (0.50) PNMTTAAR1SLC6A2SLC6A4IDO1
SCHEMBL13516020 0.73 PPARG (0.41) SLC6A2SLC6A4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10922893 0.72 PPARG (0.40) ALDH1A1NPSR1KMT2AMEN1FPR1
SCHEMBL16992766 0.72 CTSC (0.36) KMT2ACYP3A4

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 PNMT 4737/4885TAS1R3 3648/4885TAS1R1 3770/4885

“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.