SCHEMBL2078504

SCHEMBL2078504

CCOCCn1cc2c(C3C(=O)Nc4ccc(Br)cc43)nc(NCCN3CCOCC3)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CHEK1 O14757 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRK6 P43250 1/20 0.34
PDE5A O76074 5/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.33
PDE6A P16499 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
BACE1 P56817 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
SCHEMBL2078242 0.93 EGFR (0.38) EGFRRXFP1CHEK1HTR2ABACE1
SCHEMBL2078499 0.93 EGFR (0.38) EGFRRXFP1CHEK1CYP3A4CYP2D6
SCHEMBL12428159 0.92 CHEK1 (0.35) CHEK1CYP3A4CYP2D6CYP2C9GRK6
SCHEMBL2078614 0.92 EGFR (0.37) EGFRCHEK1CYP3A4CYP2D6CYP2C9
SCHEMBL2076349 0.91 EGFR (0.39) EGFRRXFP1CHEK1MAPT
SCHEMBL2077481 0.88 EGFR (0.37) EGFRRXFP1CHEK1GRK6MAPT
SCHEMBL12845146 0.86 USP2 (0.32) MAPT
SCHEMBL2078512 0.86 USP2 (0.32) EGFRMAPT
SCHEMBL2076726 0.85 MEN1 (0.37) EGFRRXFP1CHEK1MAPT
SCHEMBL2078124 0.83 USP2 (0.32) RXFP1CYP2C9MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
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
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO 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 EGFR 1164/4885RXFP1 2679/4885CHEK1 1661/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 EGFR 1664/4885RXFP1 2445/4885CHEK1 2277/4885

“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.