SCHEMBL12501163

SCHEMBL12501163

Cn1cc(-c2cccc3cnccc23)c2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.56
▸ TBK1 Q9UHD2 2/20 0.56
▸ DYRK1A Q13627 3/20 0.51
▸ PDPK1 O15530 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ CDK2 P24941 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL6240424 0.76 LMNA (0.63) IKBKETBK1KDM4EKDRSLC22A12
SCHEMBL15730161 0.76 IKBKE (0.60) IKBKETBK1KDM4EKDRSLC22A12
SCHEMBL12501062 0.76 IKBKE (0.64) IKBKETBK1DYRK1APDPK1TGFBR1
SCHEMBL20365107 0.74 IKBKE (0.57) IKBKETBK1KDM4EKDRSLC22A12
SCHEMBL14608725 0.72 IKBKE (0.56) IKBKETBK1KDM4EKDRSLC22A12
SCHEMBL12501144 0.71 IKBKE (1.00) IKBKETBK1DYRK1APDPK1TGFBR1
SCHEMBL3885563 0.71 GSK3B (0.66) DYRK1AGSK3BCDK1CCNB1CCNB2
SCHEMBL6429396 0.71 IKBKE (0.56) IKBKETBK1KDM4EKDRSLC22A12
SCHEMBL12501099 0.70 HTR6 (0.54) IKBKETBK1PDPK1TGFBR1KDM4E
SCHEMBL18098820 0.70 PDPK1 (0.48) IKBKETBK1DYRK1APDPK1TGFBR1

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 IKBKE 1071/4885TBK1 2204/4885DYRK1A 1000/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 IKBKE 1100/4885TBK1 2133/4885DYRK1A 998/4885

“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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