SCHEMBL14377752

SCHEMBL14377752

Cn1cc(-c2cnc3[nH]cc(-c4nnc(Nc5ccc(C(=O)NCC(=O)N6CCOCC6)cc5Cl)o4)c3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ ALK Q9UM73 6/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ PDPK1 O15530 9/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL14377759 0.95 ALK (0.40) TTKCLK1CLK2ALKPDPK1
SCHEMBL14377749 0.94 ALK (0.40) TTKCLK1CLK2ALKPDPK1
SCHEMBL14378194 0.90 NTRK1 (0.48) TTKCLK1CLK2ALKNTRK1
SCHEMBL14377777 0.89 PDPK1 (0.44) TTKCLK1CLK2ALKPDPK1
SCHEMBL14377790 0.89 TTK (0.43) TTKCLK1CLK2ALKPDPK1
SCHEMBL14378033 0.87 PDPK1 (0.42) TTKCLK1CLK2ALKPDPK1
SCHEMBL14377785 0.87 ALK (0.42) TTKCLK1CLK2ALKPDPK1
SCHEMBL14377771 0.87 TTK (0.44) TTKCLK1CLK2ALKPDPK1
SCHEMBL14378027 0.86 PDPK1 (0.44) TTKCLK1CLK2ALKPDPK1
SCHEMBL14378019 0.85 PDPK1 (0.43) TTKCLK1CLK2ALKPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP claimed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US claimed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US claimed
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP disclosed
EP-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP disclosed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-8993564-B2 7-azaindole derivatives suitable for treatment of cancers MERCK PATENT GMBH (DE) 2015-03-31 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2014-07-03 — — US disclosed
US-20140073584-A1 Thienopyranones as Kinase Inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
WO-2012175168-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2012-12-27 — — 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 (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-20140073584-A1 Thienopyranones as Kinase Inhibitors MAP3K3, MAP3K6, MAP3K1 TTK 51/4885CLK1 318/4885CLK2 228/4885
US-20140187551-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS PDK1, PDK2, PDK3 TTK 922/4885CLK1 1510/4885CLK2 831/4885

“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.

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