SCHEMBL868249

SCHEMBL868249

Nc1nccc2occ(-c3ccc4c(c3)CCN4)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 2/20 0.46
KDR P35968 2/20 0.42
MAPK1 P28482 1/20 0.37
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 1/20 0.36
PIK3CD O00329 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
EPHB4 P54760 1/20 0.32
TNIK Q9UKE5 1/20 0.31
APP P05067 1/20 0.30

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
Hydrochloric Acid SCHEMBL869114 0.99 EIF2AK3 (0.45) EIF2AK3KDRMAPK1BMPR1BBMPR1A
SCHEMBL869245 0.82 KDR (0.51) EIF2AK3KDRJAK2JAK3
SCHEMBL868587 0.79 MAPK1 (0.39) EIF2AK3KDRMAPK1BMPR1BBMPR1A
SCHEMBL868508 0.76 KDR (0.58) EIF2AK3KDREPHB4
SCHEMBL870034 0.75 EIF2AK3 (0.35) EIF2AK3KDR
SCHEMBL3529485 0.74 KDR (0.50) EIF2AK3KDRBMPR1BBMPR1AACVRL1
SCHEMBL868669 0.72 EIF2AK3 (0.68) EIF2AK3KDR
SCHEMBL31531402 0.71 KDR (0.43) KDRMAPK1ACVR1DRD2DRD4
SCHEMBL27975489 0.71 EIF2AK3 (0.67) EIF2AK3KDR
SCHEMBL868609 0.68 EIF2AK3 (0.52) EIF2AK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885KDR 3297/4885MAPK1 5/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885KDR 3297/4885MAPK1 5/4885

“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.