SCHEMBL852406

SCHEMBL852406

Cc1cccc(N(C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
BRD4 O60885 2/20 0.38
GRM5 P41594 3/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.35
CREBBP Q92793 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TTK P33981 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL959885 0.86 GRM5 (0.38) PAX8IRAK4GRM5RAB9AP2RX7
SCHEMBL68085 0.84 PAX8 (0.42) PAX8IRAK4BRD4GRM5RAB9A
SCHEMBL21964982 0.83 PAX8 (0.41) PAX8IRAK4BRD4RAB9ACREBBP
SCHEMBL12853542 0.82 KDM4E (0.46) PAX8IRAK4BRD4RAB9ACREBBP
SCHEMBL14480281 0.82 IRAK4 (0.36) PAX8IRAK4GRM5RAB9AP2RX7
SCHEMBL25380015 0.82 GRM5 (0.36) PAX8IRAK4GRM5RAB9AP2RX7
SCHEMBL4072458 0.82 NR1I2 (0.42) PAX8IRAK4BRD4CREBBPTTK
SCHEMBL14182011 0.81 PAX8 (0.40) PAX8IRAK4BRD4CYP1A2CYP2C19
SCHEMBL23131099 0.81 PAX8 (0.40) PAX8IRAK4BRD4CREBBPNPSR1
SCHEMBL28462362 0.81 FGFR4 (0.46) PAX8IRAK4BRD4CREBBP

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System AC IMMUNE S.A. (CH) 2011-04-21 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (2 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-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System APP, CLN6, DPYSL2 PAX8 1986/4885IRAK4 2227/4885BRD4 2805/4885
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System APP, CLN6, DPYSL2 PAX8 1986/4885IRAK4 2227/4885BRD4 2805/4885

“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.