SCHEMBL16623859

SCHEMBL16623859

c1ccc2c(c1)-c1ccccc1N1c3ccccc3-n3ccnc3C21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
JAK2 O60674 1/20 0.38
GPR3 P46089 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA1A P35348 4/20 0.33
ADRA2A P08913 3/20 0.33
ADRA1D P25100 3/20 0.33
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16623860 0.84 FDPS (0.34) CYP1A2CYP2D6GAA
SCHEMBL16623863 0.77 JAK2 (0.41) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623699 0.75 PTPN1 (0.44) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623702 0.75 GPR3 (0.50) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623753 0.71 JAK2 (0.43) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623739 0.69 JAK2 (0.44) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623752 0.69 JAK2 (0.47) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623741 0.69 JAK2 (0.44) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623803 0.69 GPR3 (0.44) CYP19A1JAK2GPR3CYP1A2CYP2D6
SCHEMBL16623809 0.69 GPR3 (0.44) CYP19A1JAK2GPR3CYP1A2CYP2D6

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 CYP19A1 2633/4885JAK2 1814/4885GPR3 3119/4885

“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.