SCHEMBL3757040

SCHEMBL3757040

COc1ccc(NC(=O)CN(C)C)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.55
EGFR P00533 5/20 0.51
ABL1 P00519 3/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
CSF1R P07333 2/20 0.49
RET P07949 2/20 0.49
MET P08581 2/20 0.49
ROS1 P08922 2/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
MAP4K2 Q12851 2/20 0.49
STK3 Q13188 2/20 0.49
TAOK1 Q7L7X3 2/20 0.49
AURKB Q96GD4 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
PAK4 O96013 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL3756899 0.87 CDK2 (0.57) IGF1RPRKD3LCKCSF1RROS1
SCHEMBL3755319 0.86 CDK2 (0.57) IGF1REGFRPRKD3LCKCSF1R
SCHEMBL3767817 0.84 IGF1R (0.56) IGF1REGFRABL1PRKD3MAP4K4
SCHEMBL3766723 0.84 IGF1R (0.55) IGF1REGFRABL1PRKD3MAP4K4
SCHEMBL3762802 0.82 ALK (0.53) IGF1REGFRABL1PRKD3MAP4K4
SCHEMBL3763966 0.80 IGF1R (0.52) IGF1REGFRABL1PRKD3MAP4K4
SCHEMBL3760802 0.80 CDK2 (0.47) IGF1REGFRABL1PRKD3MAP4K4
SCHEMBL3762013 0.80 CDK2 (0.62) IGF1REGFRKDRGSK3BCDK2
SCHEMBL3759158 0.79 CDK2 (0.51) IGF1REGFRABL1MAP4K4LCK
SCHEMBL3761151 0.78 CDK2 (0.56) IGF1REGFRINSRCDK2CDK4

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 disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US 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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US 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 (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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 IGF1R 1/4885EGFR 328/4885ABL1 203/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 IGF1R 1/4885EGFR 249/4885ABL1 456/4885

“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.