SCHEMBL12501114

SCHEMBL12501114

c1cnc2[nH]cc(-c3cccc4c(OC5CCOCC5)nccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.53
▸ RET P07949 3/20 0.51
▸ IKBKE Q14164 2/20 0.49
▸ TBK1 Q9UHD2 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.47
▸ PDPK1 O15530 1/20 0.46
▸ CDC7 O00311 3/20 0.45
▸ DYRK1A Q13627 3/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CSNK1A1 P48729 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
SCHEMBL12501111 0.80 PDPK1 (0.48) TBK1LRRK2PDPK1PAK4
SCHEMBL15397153 0.74 LRRK2 (0.45) LRRK2GRM4
SCHEMBL14976377 0.71 TBK1 (0.65) IKBKETBK1
SCHEMBL15397133 0.70 TGFBR1 (0.69) TGFBR1RETIKBKETBK1PDPK1
SCHEMBL12501165 0.70 TGFBR1 (1.00) TGFBR1IKBKETBK1LRRK2PDPK1
SCHEMBL5618155 0.70 TGFBR1 (0.71) TGFBR1IKBKETBK1LRRK2PDPK1
SCHEMBL30350739 0.70 LRRK2 (0.47) LRRK2ALOX5APFEN1
SCHEMBL16333797 0.70 LRRK2 (0.47) LRRK2ALOX5APFEN1
SCHEMBL15397147 0.69 ALK (0.49) PDPK1PAK4
SCHEMBL20846165 0.69 BRD4 (0.58) TGFBR1RETIKBKETBK1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP claimed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US claimed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP claimed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 — — US 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-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 (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 TGFBR1 3500/4885RET 733/4885IKBKE 1071/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 TGFBR1 3492/4885RET 776/4885IKBKE 1100/4885

“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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