SCHEMBL2078439

SCHEMBL2078439

CC(C)Cn1ncc(C#N)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.40
ABL1 P00519 1/20 0.37
KDR P35968 1/20 0.37
XDH P47989 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4190412 0.86 PKM (0.41) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL4758003 0.83 PKM (0.49) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL2193196 0.80 PKM (0.55) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL9300712 0.80 PKM (0.46) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL2077595 0.77 PKM (0.53) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL8234335 0.77 PKM (0.55) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL5398742 0.76 TSHR (0.37)
SCHEMBL691749 0.76 TSHR (0.53) POLBRPS6KB1
SCHEMBL174714 0.75 PKM (0.54) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL4760141 0.75 PKM (0.50) PKMFNTAFNTBKDM4EKMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
CN-101448822-A Substituted pyrazolopyrimidines KYOCERA CORP (US) 2009-06-03 CN disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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 (2 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 PKM 1134/4885FNTA 3466/4885FNTB 3322/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PKM 586/4885FNTA 3665/4885FNTB 3304/4885

“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.