Sugi Predict

Sugi Predict / Compounds / SCHEMBL1014579

SCHEMBL1014579

SCHEMBL1014579

Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(F)F)n2)c(OC(C)C)cc1C1CCNCC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.89
▸ INSR P06213 10/20 0.89
▸ KCNH2 Q12809 4/20 0.89
▸ PLK4 O00444 1/20 0.89
▸ BUB1B O60566 1/20 0.89
▸ JAK2 O60674 1/20 0.89
▸ ROCK2 O75116 1/20 0.89
▸ ABL1 P00519 1/20 0.89
▸ EGFR P00533 1/20 0.89
▸ NTRK1 P04629 1/20 0.89
▸ LCK P06239 1/20 0.89
▸ NPM1 P06748 1/20 0.89
▸ FES P07332 1/20 0.89
▸ LYN P07948 1/20 0.89
▸ RET P07949 1/20 0.89
▸ IGF1R P08069 1/20 0.89
▸ ABCB1 P08183 1/20 0.89
▸ MET P08581 1/20 0.89
▸ ROS1 P08922 1/20 0.89
▸ FGR P09769 1/20 0.89

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
Ceritinib SCHEMBL1014329 0.94 ALK (1.00) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL29489147 0.94 ALK (1.00) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL29349781 0.94 ALK (1.00) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL30053881 0.93 ALK (0.98) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL9936675 0.93 ALK (0.98) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL29810752 0.93 ALK (0.98) ALKINSRKCNH2PLK4BUB1B
Ceritinib SCHEMBL17879535 0.93 ALK (0.89) ALKINSRKCNH2PLK4BUB1B
SCHEMBL23637757 0.92 ALK (0.87) ALKINSRKCNH2PLK4BUB1B
SCHEMBL12568366 0.91 ALK (0.77) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1545837 0.91 ALK (0.94) ALKINSRKCNH2PLK4BUB1B

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-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 — — EP disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 — — US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 — — US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 — — US disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 — — EP disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 — — WO disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 — — 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R ALK 6/4885INSR 2/4885KCNH2 2061/4885

“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.