SCHEMBL2238422

SCHEMBL2238422

N#Cc1cc2c(=O)c3cc(Br)ccc3oc2nc1N

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.63
▸ IKBKE Q14164 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43

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
SCHEMBL6207230 0.85 NPC1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6206714 0.85 NPC1 (0.53) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6207540 0.83 KMT2A (0.48) TBK1IKBKEKDM4ENPC1GAA
SCHEMBL6206524 0.82 TBK1 (0.65) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL29674734 0.82 TBK1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL6206386 0.82 TBK1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19181468 0.78 TBK1 (0.68) TBK1IKBKE
SCHEMBL12354956 0.78 TBK1 (0.50) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL19181430 0.78 TBK1 (0.68) TBK1IKBKEKDM4E
SCHEMBL19197558 0.78 TBK1 (1.00) TBK1IKBKEKDM4ENPC1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 — — EP claimed
EP-1569942-A2 TRICYCLIC AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 — — EP claimed
WO-2004054504-A2 TRICYCLIC AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 — — WO claimed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 — — WO claimed
US-20040127511-A1 Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 — — US claimed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 — — US claimed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 — — EP disclosed
EP-1569942-A2 TRICYCLIC AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 — — EP disclosed
EP-1569938-A1 METHOD OF MAKING TRICYCLIC AMINOCYANOPYRIDINE COMPOUNDS Pharmacia Corporation (US) 2005-09-07 — — EP disclosed
US-6909001-B2 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION (US) 2005-06-21 — — US disclosed
US-20040127714-A1 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION 2004-07-01 — — US disclosed
WO-2004055019-A1 METHOD OF MAKING TRICYCLIC AMINOCYANOPYRIDINE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-01 — — WO disclosed
WO-2004054504-A2 TRICYCLIC AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 — — WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 — — WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 — — US disclosed
US-20040127511-A1 Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 — — US 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 (5 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 TBK1 2356/4885IKBKE 526/4885KDM4E 1736/4885
US-20040127714-A1 Method of making tricyclic aminocyanopyridine compounds MAP4K2, PACSIN2, MAPKAPK2 TBK1 1224/4885IKBKE 456/4885KDM4E 2355/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TBK1 4546/4885IKBKE 4210/4885KDM4E 1963/4885
US-20040127511-A1 Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP4K2, MAP3K2 TBK1 1459/4885IKBKE 446/4885KDM4E 1736/4885
US-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 TBK1 494/4885IKBKE 189/4885KDM4E 1570/4885

“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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