SCHEMBL14764408

SCHEMBL14764408

N#Cc1cc(-c2ccnc(Nc3cc(CO)ccn3)c2)ccc1OC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 20/20 1.00
TBK1 Q9UHD2 20/20 1.00

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
SCHEMBL14764135 0.91 IKBKE (1.00) IKBKETBK1
SCHEMBL14764558 0.91 IKBKE (1.00) IKBKETBK1
SCHEMBL14764130 0.88 IKBKE (1.00) IKBKETBK1
SCHEMBL14764327 0.88 IKBKE (1.00) IKBKETBK1
SCHEMBL14764191 0.87 IKBKE (1.00) IKBKETBK1
SCHEMBL14764193 0.87 IKBKE (0.84) IKBKETBK1
SCHEMBL14764351 0.86 IKBKE (1.00) IKBKETBK1
SCHEMBL14764164 0.84 IKBKE (1.00) IKBKETBK1
SCHEMBL15939760 0.84 IKBKE (1.00) IKBKETBK1
SCHEMBL15945359 0.83 IKBKE (0.76) IKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753615-B1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-07-19 EP claimed
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US claimed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-2753615-B1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-07-19 EP disclosed
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US disclosed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 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-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG IKBKE 4/4885TBK1 1/4885

“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.