SCHEMBL12501046

SCHEMBL12501046

c1ccc(Cn2cc(-c3c[nH]c4cnccc34)c3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.55
▸ TGFBR1 P36897 2/20 0.55
▸ IKBKE Q14164 2/20 0.55
▸ DYRK1A Q13627 9/20 0.49
▸ NFATC1 O95644 5/20 0.49
▸ TBK1 Q9UHD2 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ GSK3B P49841 5/20 0.45
▸ APP P05067 3/20 0.43
▸ SNCA P37840 3/20 0.43
▸ CDK2 P24941 4/20 0.42
▸ DYRK1B Q9Y463 4/20 0.42
▸ IGF1R P08069 2/20 0.42
▸ KDM4C Q9H3R0 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL12501062 0.80 IKBKE (0.64) PDPK1TGFBR1IKBKEDYRK1ANFATC1
SCHEMBL12501045 0.72 TGFBR1 (1.00) PDPK1TGFBR1IKBKEDYRK1ANFATC1
SCHEMBL14876913 0.69 IKBKE (0.71) PDPK1TGFBR1IKBKEDYRK1ANFATC1
SCHEMBL14857618 0.69 APP (0.55) APPSNCAKDM4C
SCHEMBL20791838 0.69 L3MBTL1 (0.56) APPSNCA
SCHEMBL26696137 0.68 DYRK1A (0.80) PDPK1TGFBR1IKBKEDYRK1ANFATC1
SCHEMBL13204316 0.67 SIRT2 (0.58) GSK3BAPPSNCACDK2CDK1
SCHEMBL28501215 0.67 KDM4E (0.50) DYRK1ANFATC1SIRT2
SCHEMBL20791839 0.67 APP (0.53) APPSNCA
SCHEMBL28505106 0.66 HTR7 (0.71) SIRT2

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 27 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
CN-103502247-A 7-azaindole derivatives MERCK PATENT GMBH 2014-01-08 — — CN 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
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
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 — — EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 — — EP disclosed
US-20150152104-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-04 — — US 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
CN-103502247-A 7-azaindole derivatives MERCK PATENT GMBH 2014-01-08 — — CN 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
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 (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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 PDPK1 12/4885TGFBR1 3500/4885IKBKE 1071/4885
US-20150152104-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 PDPK1 12/4885TGFBR1 3500/4885IKBKE 1071/4885

“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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