SCHEMBL14720231

SCHEMBL14720231

Nc1n[nH]c(O)c1Cc1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
CHEK1 O14757 1/20 0.41
FLT3 P36888 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
GAA P10253 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
IDO1 P14902 2/20 0.39
AKR1B1 P15121 1/20 0.37
NR3C1 P04150 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
RECQL P46063 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35

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 0.85 PNMT (0.46) PNMTCHEK1FLT3PLK3GAA
SCHEMBL14720179 0.79 PIK3CD (0.43) PNMTCHEK1FLT3PLK3GAA
SCHEMBL14720550 0.79 PIK3CD (0.43) PNMTCHEK1FLT3PLK3GAA
SCHEMBL14720172 0.76 MEN1 (0.40) AKR1B1NR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL14720127 0.73 PNMT (0.43) PNMTGAATAAR1CCR2CCR5
SCHEMBL15844226 0.72 NR3C1 (0.37) CCR2CCR5AKR1B1NR3C1SMN1; SMN2
SCHEMBL14720145 0.71 PNMT (0.41) PNMTCHEK1FLT3PLK3TAAR1
SCHEMBL14720556 0.71 PNMT (0.41) PNMTGAATAAR1CCR2CCR5
SCHEMBL14720275 0.70 PNMT (0.40) PNMTTAAR1CCR2CCR5IDO1
SCHEMBL3341041 0.70 PNMT (0.46) PNMTCHEK1FLT3PLK3GAA

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 4737/4885CHEK1 131/4885FLT3 380/4885

“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.