Sugi Predict

Sugi Predict / Compounds / SCHEMBL14720120

SCHEMBL14720120

SCHEMBL14720120

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ P2RX7 Q99572 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL13516020 0.88 PPARG (0.41) SLC6A2SLC6A4MAPTHTTSMN1; SMN2
SCHEMBL14720225 0.86 PNMT (0.42) PNMTKMT2AMEN1TAAR1SLC6A2
SCHEMBL14720213 0.85 PNMT (0.39) PNMTKMT2AMEN1TAAR1P2RX7
SCHEMBL14720157 0.83 ALDH1A1 (0.40) PNMTKMT2AMEN1SLC6A2SLC6A4
SCHEMBL15856089 0.82 PNMT (0.39) PNMTKMT2AMEN1TAAR1SLC6A2
SCHEMBL14720327 0.81 PDK1 (0.38) PNMTKMT2AMEN1TAAR1SLC6A2
SCHEMBL8076310 0.80 PNMT (0.48) PNMTKMT2AMEN1TAAR1P2RX7
SCHEMBL14720342 0.76 DPP4 (0.42) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL3921761 0.76 PNMT (0.47) PNMTKMT2AMEN1TAAR1SLC6A2
SCHEMBL6824457 0.75 PNMT (0.50) PNMTKMT2AMEN1TAAR1P2RX7

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 4737/4885KMT2A 3562/4885MEN1 2967/4885

“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.