SCHEMBL15843303

SCHEMBL15843303

COC(=O)c1ccc(Nc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NEK1 Q96PY6 5/20 0.45
▸ AXL P30530 1/20 0.45
▸ SGK1 O00141 1/20 0.45
▸ CAMKK2 Q96RR4 1/20 0.45
▸ ALK Q9UM73 6/20 0.43
▸ PDPK1 O15530 3/20 0.43
▸ TTK P33981 3/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.41

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
SCHEMBL14377996 0.92 PAK1 (0.45) AXLALKPDPK1TTKCLK1
SCHEMBL14378027 0.89 PDPK1 (0.44) ALKPDPK1TTKCLK1CLK2
SCHEMBL14377775 0.89 TTK (0.42) ALKPDPK1TTKCLK1CLK2
SCHEMBL14378015 0.88 TTK (0.45) ALKPDPK1TTKCLK1CLK2
SCHEMBL14377790 0.88 TTK (0.43) ALKPDPK1TTKCLK1CLK2
SCHEMBL15842988 0.88 TTK (0.44) ALKPDPK1TTKCLK1CLK2
SCHEMBL14378194 0.88 NTRK1 (0.48) ALKTTKCLK1CLK2
SCHEMBL14377777 0.87 PDPK1 (0.44) ALKPDPK1TTKCLK1CLK2
SCHEMBL14377785 0.87 ALK (0.42) ALKPDPK1TTKCLK1CLK2
SCHEMBL14377771 0.87 TTK (0.44) ALKPDPK1TTKCLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NEK1 428/4885AXL 3690/4885SGK1 419/4885

“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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