SCHEMBL14335962

SCHEMBL14335962

Cn1cc(-c2cnc3[nH]cc(-c4nnc(Nc5ccc(C(=O)NC6CCCCC6)cc5Cl)o4)c3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ ALK Q9UM73 4/20 0.42
▸ CCNC P24863 3/20 0.41
▸ CDK8 P49336 3/20 0.41
▸ PIM1 P11309 3/20 0.40
▸ PIM2 Q9P1W9 3/20 0.40
▸ TNIK Q9UKE5 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL14377792 0.99 TTK (0.44) TTKCLK1CLK2ALKCCNC
SCHEMBL14378015 0.96 TTK (0.45) TTKCLK1CLK2ALKCCNC
SCHEMBL14377771 0.88 TTK (0.44) TTKCLK1CLK2ALKPIK3CG
SCHEMBL14377775 0.87 TTK (0.42) TTKCLK1CLK2ALKTNIK
SCHEMBL14377996 0.87 PAK1 (0.45) TTKCLK1CLK2ALKPIM1
SCHEMBL14377785 0.87 ALK (0.42) TTKCLK1CLK2ALKPDPK1
SCHEMBL15843303 0.86 NEK1 (0.45) TTKCLK1CLK2ALKTNIK
SCHEMBL14378027 0.86 PDPK1 (0.44) TTKCLK1CLK2ALKPDPK1
SCHEMBL14378019 0.85 PDPK1 (0.43) TTKCLK1CLK2ALKPDPK1
SCHEMBL14377777 0.85 PDPK1 (0.44) 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 12 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
EP-2723736-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS Merck Patent GmbH (DE) 2014-04-30 — — EP disclosed
WO-2012175168-A1 7-AZAINDOLE DERIVATIVES SUITABLE FOR TREATMENT OF CANCERS MERCK PATENT GMBH (DE) 2012-12-27 — — WO 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 (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-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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