SCHEMBL14976902

SCHEMBL14976902

CN1CCC(n2cc(-c3cnc4[nH]cc(-c5ccc(OC6CCOCC6)c(C#N)c5)c4c3)nn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.55
▸ IKBKE Q14164 7/20 0.55

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
SCHEMBL14975878 0.91 TBK1 (0.59) TBK1IKBKE
Hydrochloric Acid SCHEMBL16194946 0.91 TBK1 (0.58) TBK1IKBKE
SCHEMBL14977031 0.88 TBK1 (0.62) TBK1IKBKE
SCHEMBL16194552 0.88 TBK1 (0.55) TBK1IKBKE
SCHEMBL14977206 0.86 TBK1 (0.43) TBK1IKBKE
SCHEMBL14976544 0.85 TBK1 (0.44) TBK1
SCHEMBL14977084 0.84 TBK1 (0.56) TBK1IKBKE
SCHEMBL16203329 0.83 TBK1 (0.51) TBK1IKBKE
SCHEMBL14977054 0.82 TBK1 (0.68) TBK1
SCHEMBL14976939 0.82 TNIK (0.59) TBK1IKBKE

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 8 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-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-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 11/4885

“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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