SCHEMBL1361817

SCHEMBL1361817

COc1cccc(C(=O)Nc2cccc(-c3nc4sccn4c3-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 1.00
CDK19 Q9BWU1 1/20 1.00
IGF1R P08069 14/20 0.84
EGFR P00533 13/20 0.84
ERBB2 P04626 13/20 0.84
LCK P06239 8/20 0.70
KDR P35968 7/20 0.70
STK3 Q13188 6/20 0.70
MAP4K5 Q9Y4K4 6/20 0.70
RET P07949 5/20 0.70
AURKB Q96GD4 4/20 0.70
MAP4K4 O95819 4/20 0.70
TAOK1 Q7L7X3 4/20 0.70
FLT1 P17948 4/20 0.70
FYN P06241 3/20 0.70
FGFR1 P11362 3/20 0.70
AURKA O14965 2/20 0.70
PRKD3 O94806 2/20 0.70
INSR P06213 2/20 0.70
LYN P07948 2/20 0.70

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
SCHEMBL1362815 0.93 PTK2 (0.86) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1362054 0.91 IGF1R (1.00) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1364050 0.90 IGF1R (0.87) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1364456 0.90 IGF1R (0.81) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1363685 0.89 IGF1R (0.88) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1363218 0.89 IGF1R (0.91) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1363333 0.89 IGF1R (0.89) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1363240 0.88 IGF1R (0.79) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1361416 0.88 EGFR (0.83) PTK2CDK19IGF1REGFRERBB2
SCHEMBL1364514 0.88 PTK2 (0.79) PTK2CDK19IGF1REGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067409-B2 Protein kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US claimed
US-8067409-B2 Protein kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
US-20090253723-A1 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO 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-20090253723-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 PTK2 88/4885CDK19 341/4885IGF1R 1941/4885

“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.