SCHEMBL2076699

SCHEMBL2076699

CCCn1cc2c(C3C(=O)Nc4ccc(Br)cc43)nc(NCCCN(C)C)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FLT3 P36888 2/20 0.32
TRIM58 Q8NG06 1/20 0.32
NQO2 P16083 1/20 0.32
EHMT2 Q96KQ7 4/20 0.32
KDM1A O60341 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
MBTD1 Q05BQ5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL2078688 0.95 USP2 (0.34) EGFRUSP2ALDH1A1NQO2LMNA
SCHEMBL2078758 0.92 EHMT2 (0.34) EGFRUSP2ALDH1A1FLT3NQO2
SCHEMBL2075562 0.91 USP2 (0.35) USP2ALDH1A1NQO2LMNATP53
SCHEMBL3773255 0.91 USP2 (0.34) USP2ALDH1A1NQO2LMNATP53
SCHEMBL2077706 0.90 USP2 (0.35) EGFRUSP2ALDH1A1FLT3TRIM58
SCHEMBL2076201 0.90 EGFR (0.32) EGFRUSP2ALDH1A1FLT3NQO2
Hydrochloric Acid SCHEMBL2078049 0.90 USP2 (0.34) USP2ALDH1A1NQO2LMNATP53
SCHEMBL2075420 0.90 USP2 (0.35) USP2ALDH1A1NQO2LMNATP53
SCHEMBL12427583 0.89 TRIM58 (0.33) TRIM58EHMT2KDM1ARCOR1EHMT1
SCHEMBL3769627 0.89 USP2 (0.35) USP2ALDH1A1NQO2LMNATP53

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 16 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
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 1164/4885USP2 4580/4885ALDH1A1 1266/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 EGFR 1664/4885USP2 4560/4885ALDH1A1 813/4885

“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.