SCHEMBL12501057

SCHEMBL12501057

Cn1cc(-c2cnc3[nH]cc(-c4cn(S(=O)(=O)c5ccccc5)c5cnccc45)c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 7/20 1.00
▸ ALK Q9UM73 11/20 0.51
▸ TNIK Q9UKE5 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ IKBKE Q14164 1/20 0.46
▸ TBK1 Q9UHD2 1/20 0.46
▸ PIK3CA P42336 1/20 0.45

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
SCHEMBL15397145 0.91 PDPK1 (0.84) PDPK1ALKTNIK
SCHEMBL17742865 0.87 PDPK1 (0.77) PDPK1ALKTGFBR1IKBKETBK1
SCHEMBL12501063 0.82 PDPK1 (0.69) PDPK1ALKTNIKTGFBR1IKBKE
SCHEMBL12501042 0.81 PDPK1 (0.68) PDPK1TGFBR1IKBKETBK1
SCHEMBL18098840 0.79 PDPK1 (0.66) PDPK1ALKTGFBR1IKBKETBK1
SCHEMBL18534314 0.79 PDPK1 (0.65) PDPK1ALKTNIKTGFBR1IKBKE
SCHEMBL17738792 0.78 PDPK1 (0.63) PDPK1
SCHEMBL12501027 0.77 PDPK1 (0.62) PDPK1ALKTNIKTGFBR1IKBKE
SCHEMBL12501148 0.76 PDPK1 (0.61) PDPK1ALKTNIKIKBKETBK1
SCHEMBL12501064 0.75 PDPK1 (0.60) PDPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP claimed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP claimed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 — — EP claimed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US claimed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 — — WO claimed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 — — US disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 — — US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP disclosed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 — — EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 — — 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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 PDPK1 12/4885ALK 2884/4885TNIK 1533/4885

“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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