SCHEMBL2076980

SCHEMBL2076980

CCCn1cc2c(C3C(=O)Nc4ccc(Br)cc43)nc(NCCc3cccnc3)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
INSR P06213 1/20 0.35
JAK3 P52333 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PTGFR P43088 2/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA2B P29275 1/20 0.33
OGA O60502 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TBXAS1 P24557 1/20 0.32
PTAFR P25105 1/20 0.32
GSK3B P49841 4/20 0.32
PIK3CA P42336 1/20 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
SCHEMBL2078249 0.93 EGFR (0.36) IGF1RFGFR1KDRUSP2ALDH1A1
SCHEMBL2076585 0.91 INSR (0.36) IGF1RFGFR1KDRINSRJAK3
SCHEMBL13007235 0.89 JAK3 (0.32) IGF1RFGFR1KDRINSRJAK3
SCHEMBL2077886 0.89 JAK3 (0.32) IGF1RFGFR1KDRINSRJAK3
SCHEMBL2075420 0.86 USP2 (0.35) USP2ALDH1A1ADORA2AADORA1ADORA2B
SCHEMBL2078771 0.86 EGFR (0.37) IGF1RFGFR1JAK3USP2ALDH1A1
SCHEMBL2075701 0.86 USP2 (0.34) USP2ALDH1A1ADORA2AADORA1TMIGD3
SCHEMBL2075483 0.85 ALDH1A1 (0.37) IGF1RFGFR1KDRUSP2ALDH1A1
SCHEMBL3769627 0.85 USP2 (0.35) USP2ALDH1A1ADORA2AADORA1ADORA2B
SCHEMBL2078562 0.85 PDE9A (0.34) IGF1RFGFR1KDRINSRADORA2A

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 IGF1R 1054/4885FGFR1 774/4885KDR 1263/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 IGF1R 661/4885FGFR1 552/4885KDR 1449/4885

“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.