SCHEMBL16623862

SCHEMBL16623862

c1ccc2c(c1)C1c3ccccc3-n3ccnc3N1c1nccn1-2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
JAK2 O60674 1/20 0.32
ACHE P22303 3/20 0.32
CYP19A1 P11511 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
GPR3 P46089 1/20 0.30
HCAR1 Q9BXC0 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
SCHEMBL16623863 0.88 JAK2 (0.41) ADRA2AADRA1AJAK2CYP19A1GPR3
SCHEMBL19606119 0.71 ADRA2A (0.30) ADRA2AADRA1A
SCHEMBL16623856 0.69 PTPN1 (0.35) ACHEPTPN2PTPN1
SCHEMBL16623860 0.67 FDPS (0.34) PTPN2PTPN1
SCHEMBL16623859 0.65 CYP19A1 (0.40) ADRA2AADRA1AJAK2CYP19A1GPR3
SCHEMBL19448392 0.65 ADRA2A (0.31) ADRA2AADRA1A
SCHEMBL11478349 0.65 SMN1; SMN2 (0.36) ADRA2AADRA1ACYP19A1GPR3
SCHEMBL20829593 0.64 CYP19A1 (0.32) ADRA2AADRA1ACYP19A1GPR3
SCHEMBL16623745 0.61 JAK2 (0.40) JAK2CYP19A1
SCHEMBL22413506 0.61 ADRA2A (0.32) ADRA2AADRA1AGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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 (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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ADRA2A 2420/4885ADRA1A 2680/4885JAK2 1814/4885

“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.