SCHEMBL3756628

SCHEMBL3756628

COc1ccc(C(F)(F)F)cc1Nc1nccc(-c2c(-c3ccc(OCc4ccccc4)c(OC)c3)nc3ccccn23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.48
EGFR P00533 7/20 0.48
ERBB2 P04626 7/20 0.48
CDK19 Q9BWU1 1/20 0.45
ALK Q9UM73 1/20 0.45
INSR P06213 4/20 0.45
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
ROS1 P08922 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
GSK3B P49841 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL3756880 0.93 CDK19 (0.52) IGF1REGFRERBB2CDK19ALK
SCHEMBL3771416 0.86 IGF1R (0.46) IGF1REGFRERBB2CDK19ALK
SCHEMBL3767846 0.85 CDK19 (0.59) IGF1REGFRERBB2CDK19ALK
SCHEMBL3718247 0.85 IGF1R (0.44) IGF1REGFRERBB2CDK19ALK
SCHEMBL3766731 0.84 IGF1R (0.53) IGF1REGFRERBB2INSR
SCHEMBL3764610 0.84 CDK19 (0.48) IGF1REGFRERBB2CDK19ALK
SCHEMBL3767685 0.84 IGF1R (0.53) IGF1REGFRERBB2INSRLCK
SCHEMBL3758768 0.84 IGF1R (0.52) IGF1REGFRERBB2CDK19ALK
SCHEMBL3764609 0.83 IGF1R (0.53) IGF1REGFRERBB2INSR
SCHEMBL3764613 0.83 IGF1R (0.53) IGF1REGFRERBB2INSR

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 8 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
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO 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 IGF1R 1/4885EGFR 328/4885ERBB2 58/4885

“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.