SCHEMBL12428962

SCHEMBL12428962

CCOCCn1cc(C#N)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
RET P07949 2/20 0.31
TGFBR1 P36897 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1740630 0.85 XDH (0.35) KDM4EALDH1A1LMNAHPGD
SCHEMBL2078531 0.84 JAK3 (0.37) KDM4EALDH1A1LMNAHPGD
SCHEMBL2075690 0.82 KDR (0.36) KDM4EHSD17B10LMNAHTT
SCHEMBL4760124 0.80 KDR (0.43) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL8241443 0.79 RECQL (0.35) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL2076920 0.78 KDR (0.49) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL11481577 0.77 KMT2A (0.36) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL12825769 0.77 RECQL (0.34) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL1740452 0.77 KDR (0.51) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL1741794 0.77 KDR (0.51) KDM4EHSD17B10ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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 KDM4E 3148/4885HSD17B10 3935/4885ADRB2 929/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 KDM4E 2794/4885HSD17B10 4091/4885ADRB2 983/4885

“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.