SCHEMBL14977031

SCHEMBL14977031

CN1CCC(n2cc(-c3cnc4[nH]cc(-c5ccc(OC6CCOCC6)c(C#N)c5)c4c3)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 19/20 0.62
▸ IKBKE Q14164 7/20 0.62
▸ TNIK Q9UKE5 1/20 0.59

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
SCHEMBL14976939 0.93 TNIK (0.59) TBK1IKBKETNIK
SCHEMBL14976315 0.91 TBK1 (0.70) TBK1IKBKE
SCHEMBL14981942 0.91 TBK1 (0.70) TBK1IKBKE
SCHEMBL14981773 0.90 TNIK (0.60) TBK1IKBKETNIK
SCHEMBL14977054 0.89 TBK1 (0.68) TBK1
SCHEMBL14976902 0.88 TBK1 (0.55) TBK1IKBKE
SCHEMBL14981799 0.88 TBK1 (0.56) TBK1IKBKETNIK
SCHEMBL14976819 0.87 TBK1 (0.56) TBK1TNIK
SCHEMBL14977825 0.87 TBK1 (0.54) TBK1IKBKETNIK
SCHEMBL14981940 0.85 TNIK (0.59) TBK1IKBKETNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 — — EP claimed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 — — US claimed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 — — US claimed
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 — — EP claimed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 — — WO claimed
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 — — EP disclosed
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 — — EP disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 — — US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 — — US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 — — US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 — — US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 — — US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 — — US disclosed
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 — — EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 — — 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-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES TBK1, NFKBIA, IKBKG TBK1 1/4885IKBKE 11/4885TNIK 77/4885

“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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