SCHEMBL16623860

SCHEMBL16623860

c1ccc2c(c1)N1c3ccccc3-n3ccnc3C1c1nccn1-2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
RIPK1 Q13546 13/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NISCH Q9Y2I1 1/20 0.31
ALOX15B O15296 1/20 0.30
GAA P10253 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 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
SCHEMBL16623859 0.84 CYP19A1 (0.40) CYP1A2CYP2D6GAA
SCHEMBL2629451 0.68 CYP3A4 (0.31) PTPN2PTPN1CYP3A4CYP1A2CYP2D6
SCHEMBL19448392 0.67 ADRA2A (0.31) RIPK1
SCHEMBL16623862 0.67 ADRA2A (0.33) PTPN2PTPN1
SCHEMBL15605429 0.65 CYP3A4 (0.33) FDPSPTPN2PTPN1CYP3A4CYP1A2
SCHEMBL1977997 0.65 RIPK1 (0.48) RIPK1
SCHEMBL1977305 0.65 RIPK1 (0.48) RIPK1
SCHEMBL1976309 0.65 RIPK1 (0.48) RIPK1
Hydrochloric Acid SCHEMBL1977306 0.64 RIPK1 (0.47) RIPK1
Iodide SCHEMBL1975859 0.64 RIPK1 (0.47) RIPK1

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 FDPS 4197/4885RIPK1 2491/4885PTPN2 514/4885

“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.