SCHEMBL3756712

SCHEMBL3756712

COc1cc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3CN3CCCC3)n2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.53
IGF1R P08069 10/20 0.53
STK3 Q13188 8/20 0.53
MAP4K5 Q9Y4K4 8/20 0.53
LCK P06239 8/20 0.53
CSF1R P07333 7/20 0.53
RET P07949 7/20 0.53
FLT1 P17948 6/20 0.53
AURKB Q96GD4 6/20 0.53
TAOK1 Q7L7X3 6/20 0.53
MAP4K2 Q12851 5/20 0.53
MAP4K4 O95819 5/20 0.53
PRKD3 O94806 4/20 0.53
FYN P06241 4/20 0.53
MET P08581 2/20 0.53
ROS1 P08922 2/20 0.53
GSK3B P49841 2/20 0.53
MINK1 Q8N4C8 2/20 0.53
BTK Q06187 2/20 0.53
PAK4 O96013 1/20 0.53

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
SCHEMBL3765117 0.83 KDR (0.57) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3720235 0.81 IGF1R (0.65) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3720265 0.81 IGF1R (0.52) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3767762 0.80 KDR (0.56) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3719741 0.79 IGF1R (0.69) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3764194 0.77 KDR (0.45) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3757963 0.74 IGF1R (0.41) KDRIGF1RSTK3MAP4K5LCK
SCHEMBL3719500 0.74 IGF1R (0.53) IGF1RBRAFEGFRERBB2INSR
SCHEMBL3769380 0.73 CDK19 (0.56) IGF1RBRAFEGFRERBB2INSR
SCHEMBL3761920 0.73 IGF1R (0.50) KDRIGF1RSTK3MAP4K5LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP claimed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US claimed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US claimed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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 (1 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 KDR 311/4885IGF1R 1/4885STK3 481/4885

“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.