SCHEMBL17742865

SCHEMBL17742865

Cn1cc(-c2ccc3[nH]cc(-c4cn(S(=O)(=O)c5ccccc5)c5cnccc45)c3c2)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.77
▸ HTR6 P50406 3/20 0.44
▸ AXL P30530 1/20 0.42
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ MET P08581 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ HAT1 O14929 2/20 0.38
▸ EP300 Q09472 2/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CCNC P24863 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
SCHEMBL17738792 0.91 PDPK1 (0.63) PDPK1HTR6AXLCREBBPMET
SCHEMBL12501057 0.87 PDPK1 (1.00) PDPK1TGFBR1IKBKETBK1ALK
SCHEMBL15397145 0.78 PDPK1 (0.84) PDPK1HTR6ALK
SCHEMBL12501042 0.74 PDPK1 (0.68) PDPK1HTR6METPIM1TGFBR1
SCHEMBL12501064 0.70 PDPK1 (0.60) PDPK1HTR6DYRK1AMETCCNC
SCHEMBL12501099 0.69 HTR6 (0.54) PDPK1HTR6PIM1TGFBR1IKBKE
SCHEMBL16698105 0.69 PDPK1 (0.54) PDPK1HTR6BRD4CA12CA9
SCHEMBL12501063 0.68 PDPK1 (0.69) PDPK1DYRK1ATGFBR1IKBKETBK1
SCHEMBL13051118 0.67 HTR6 (0.52) PDPK1HTR6DYRK1AMETCA12
SCHEMBL22777950 0.66 PDPK1 (0.49) PDPK1HTR6BRD4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 — — 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-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 PDPK1 12/4885HTR6 3525/4885AXL 3557/4885

“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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