SCHEMBL14720550

SCHEMBL14720550

COc1[nH]nc(N)c1Cc1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 2/20 0.43
PNMT P11086 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
IDO1 P14902 2/20 0.40
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PTPN11 Q06124 1/20 0.35
AKR1B1 P15121 1/20 0.35
NUDT1 P36639 1/20 0.35
NR3C1 P04150 1/20 0.35
RECQL P46063 1/20 0.33
MPO P05164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL14720422 0.81 PNMT (0.46) PIK3CDPIK3CAPIK3CBPNMTCCR2
SCHEMBL14720231 0.79 PNMT (0.43) PIK3CDPIK3CAPIK3CBPNMTCCR2
SCHEMBL14720179 0.76 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPNMT
SCHEMBL14720127 0.73 PNMT (0.43) PIK3CDPIK3CAPIK3CBPNMTCCR2
SCHEMBL14720145 0.71 PNMT (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPNMT
SCHEMBL14720275 0.68 PNMT (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPNMT
SCHEMBL3341041 0.67 PNMT (0.46) PIK3CDPIK3CAPIK3CBPNMTCCR2
SCHEMBL21548888 0.67 SMN1; SMN2 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPNMT
SCHEMBL3302008 0.66 PNMT (0.68) PNMTIDO1TAAR1MEN1KMT2A
SCHEMBL14720556 0.66 PNMT (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPNMT

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 PIK3CD 7/4885PIK3CA 2/4885PIK3CB 6/4885

“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.