SCHEMBL868587

SCHEMBL868587

Nc1ncc(Cl)c2occ(-c3ccc4c(c3)CCN4)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
PIK3CD O00329 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
CDK9 P50750 1/20 0.33
EPHB4 P54760 3/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
ACVR1 Q04771 2/20 0.31
TGFBR1 P36897 1/20 0.31
EIF2AK3 Q9NZJ5 1/20 0.31
FLT1 P17948 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 1/20 0.31

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
SCHEMBL868249 0.79 EIF2AK3 (0.46) MAPK1PIK3CDDRD2DRD4JAK2
Hydrochloric Acid SCHEMBL869114 0.78 EIF2AK3 (0.45) MAPK1PIK3CDDRD2DRD4JAK2
SCHEMBL869245 0.78 KDR (0.51) JAK2JAK3KDRTEKEIF2AK3
SCHEMBL868508 0.70 KDR (0.58) EPHB4KDREIF2AK3FLT1
SCHEMBL14033752 0.65 EPHB4 (0.62) EPHB4KDREIF2AK3
SCHEMBL868609 0.65 EIF2AK3 (0.52) EIF2AK3
SCHEMBL28403784 0.65 DRD2 (0.63) PIK3CDDRD2DRD4S1PR1S1PR3
SCHEMBL29756191 0.65 DRD2 (0.63) PIK3CDDRD2DRD4S1PR1S1PR3
Hydrochloric Acid SCHEMBL869345 0.64 EIF2AK3 (0.52) EIF2AK3
Hydrochloric Acid SCHEMBL868202 0.64 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 MAPK1 5/4885PIK3CD 725/4885DRD2 2765/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R MAPK1 5/4885PIK3CD 725/4885DRD2 2765/4885

“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.