SCHEMBL90263

SCHEMBL90263

N#Cc1cnn(CC(F)(F)F)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ABL1 P00519 1/20 0.37
KDR P35968 1/20 0.37
SCN9A Q15858 1/20 0.37
XDH P47989 2/20 0.37
F2 P00734 1/20 0.34
MAP3K12 Q12852 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL24468126 0.79 PKM (0.35) PKMKDM4EKMT2AMEN1ABL1
SCHEMBL12629482 0.77 PKM (0.53) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL2193196 0.77 PKM (0.55) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL8234335 0.77 PKM (0.55) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL174714 0.75 PKM (0.54) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL174800 0.74 PKM (0.53) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL2077595 0.74 PKM (0.53) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL2078439 0.72 PKM (0.51) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL2076292 0.72 PKM (0.51) PKMKDM4EKMT2AMEN1FNTA
SCHEMBL16014799 0.72 NPBWR1 (0.42) PKMKDM4EKMT2AMEN1FNTA

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
EP-2152712-B1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER (US) 2012-01-11 EP disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US 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 (3 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PKM 911/4885KDM4E 1603/4885KMT2A 3216/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PKM 482/4885KDM4E 1987/4885KMT2A 3336/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PKM 787/4885KDM4E 1395/4885KMT2A 1837/4885

“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.