SCHEMBL3761970

SCHEMBL3761970

COc1cc(Cl)ccc1Nc1nccc(-c2c(-c3ccc(OCc4ccccc4)cc3)nc3ccccn23)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 1/20 0.54
ALK Q9UM73 1/20 0.54
EGFR P00533 6/20 0.49
ERBB2 P04626 6/20 0.49
INSR P06213 5/20 0.49
NR1I3 Q14994 2/20 0.47
IGF1R P08069 6/20 0.47
CDK2 P24941 3/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45

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
SCHEMBL3725891 0.90 CDK19 (0.56) CDK19ALKEGFRERBB2INSR
SCHEMBL3720325 0.86 IGF1R (0.58) EGFRERBB2INSRIGF1R
SCHEMBL3756880 0.84 CDK19 (0.52) CDK19ALKEGFRERBB2INSR
SCHEMBL3767568 0.84 CDK19 (0.51) CDK19ALKEGFRERBB2INSR
SCHEMBL3759198 0.83 INSR (0.47) CDK19ALKEGFRERBB2INSR
SCHEMBL3727213 0.83 CDK19 (0.54) CDK19ALKEGFRERBB2IGF1R
SCHEMBL3716771 0.83 CDK19 (0.66) CDK19ALKINSRIGF1RCDK2
SCHEMBL3720276 0.82 IGF1R (0.66) EGFRERBB2INSRIGF1R
SCHEMBL3761151 0.82 CDK2 (0.56) EGFRERBB2INSRIGF1RCDK2
SCHEMBL3764610 0.81 CDK19 (0.48) CDK19ALKEGFRERBB2INSR

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 CDK19 53/4885ALK 534/4885EGFR 328/4885

“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.