SCHEMBL14976819

SCHEMBL14976819

CN1CCC(Oc2ccc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)cc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 6/20 0.56
▸ PIK3CG P48736 1/20 0.54
▸ MAP4K1 Q92918 5/20 0.53
▸ IL2 P60568 4/20 0.53
▸ TNIK Q9UKE5 4/20 0.52
▸ ALK Q9UM73 2/20 0.49
▸ KIT P10721 1/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL14977054 0.91 TBK1 (0.68) TBK1
SCHEMBL14975973 0.89 TBK1 (0.57) TBK1PIK3CGTNIKALKKIT
SCHEMBL15555465 0.88 TBK1 (0.51) TBK1PIK3CGTNIKALK
SCHEMBL14977031 0.87 TBK1 (0.62) TBK1TNIK
SCHEMBL14976939 0.86 TNIK (0.59) TBK1PIK3CGMAP4K1IL2TNIK
SCHEMBL14977131 0.81 TBK1 (0.61) TBK1PIK3CG
SCHEMBL15555470 0.81 TBK1 (0.57) TBK1
SCHEMBL14981860 0.81 TBK1 (0.61) TBK1
SCHEMBL30399312 0.80 IL2 (0.49) PIK3CGMAP4K1IL2TNIKALK
SCHEMBL26175368 0.80 IL2 (0.49) PIK3CGMAP4K1IL2TNIKALK

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 12 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-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
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 1/4885PIK3CG 361/4885MAP4K1 343/4885

“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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