SCHEMBL14720495

SCHEMBL14720495

Nc1cc(Cl)nc2c(Cc3cccc(Cl)c3Cl)cnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
PTPN11 Q06124 1/20 0.36
ADCY10 Q96PN6 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KCNN3 Q9UGI6 1/20 0.35
PIK3CB P42338 2/20 0.35
IDO1 P14902 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL14720233 0.87 PIK3CB (0.42) PNMTPTPN11ADCY10TAAR1KCNN3
SCHEMBL14720340 0.80 PIK3CB (0.56) PIK3CBPIK3CDPIK3CA
SCHEMBL14050801 0.75 CDK2 (0.50) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL23242923 0.72 MEN1 (0.42) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL3302008 0.68 PNMT (0.68) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL43057 0.67 KDM4E (0.40) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL11931303 0.67 CDK2 (0.56) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL15851255 0.66 ALDH1A1 (0.43) ADCY10KCNN3PIK3CBKDM4EALDH1A1
SCHEMBL14720451 0.65 PIK3CB (0.69) PIK3CBPIK3CDPIK3CA
SCHEMBL4005930 0.64 MEN1 (0.41) KDM4EALDH1A1MEN1NPC1MAPT

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 4737/4885PTPN11 295/4885ADCY10 4744/4885

“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.