SCHEMBL3769704

SCHEMBL3769704

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nccc(-c2c(Cl)nc3sccn23)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.52
ALK Q9UM73 9/20 0.49
EGFR P00533 4/20 0.49
IGF1R P08069 2/20 0.49
AURKA O14965 1/20 0.49
INSR P06213 1/20 0.49
ROS1 P08922 1/20 0.49
EML4 Q9HC35 1/20 0.49
FGFR1 P11362 1/20 0.47

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
SCHEMBL3760432 0.85 IGF1R (0.55) ALKEGFRIGF1RAURKAINSR
SCHEMBL3759707 0.83 MKNK2 (0.46) EGFRIGF1RROS1
SCHEMBL3761920 0.82 IGF1R (0.50) EGFRIGF1RAURKAINSRROS1
SCHEMBL3720265 0.82 IGF1R (0.52) EGFRIGF1RAURKAINSRROS1
SCHEMBL3762142 0.79 IGF1R (0.44) ALKEGFRIGF1RAURKAINSR
SCHEMBL3758950 0.79 MAPK8 (0.50) EGFRIGF1RAURKAROS1
SCHEMBL3722541 0.79 IGF1R (0.48) PLK1EGFRIGF1RAURKAINSR
SCHEMBL3767040 0.78 IGF1R (0.45) EGFRIGF1RINSRROS1FGFR1
SCHEMBL3767128 0.77 IGF1R (0.44) PLK1EGFRIGF1RINSRROS1
SCHEMBL3759789 0.77 IGF1R (0.58) EGFRIGF1RINSR

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 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
WO-2010138575-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
US-20100305118-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 PLK1 26/4885ALK 534/4885EGFR 328/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 PLK1 52/4885ALK 701/4885EGFR 249/4885

“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.