SCHEMBL14720157

SCHEMBL14720157

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 3/20 0.38
NLRP3 Q96P20 1/20 0.37
CYP2C9 P11712 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10335401 0.89 EPHX2 (0.46) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL14720213 0.83 PNMT (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL14720120 0.83 PNMT (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14720225 0.81 PNMT (0.42) SMN1; SMN2KMT2AMEN1TSHRNPSR1
SCHEMBL10521258 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL7715765 0.78 SLC6A2 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL15856089 0.78 PNMT (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL14720327 0.77 PDK1 (0.38) SMN1; SMN2KMT2AMEN1CYP2C9CYP1A2
SCHEMBL11358836 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6049525 0.75 MEN1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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 ALDH1A1 4458/4885SMN1; SMN2 2966/4885LMNA 4154/4885

“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.