SCHEMBL16623710

SCHEMBL16623710

c1ccc2c(c1)-c1ccccc1N1c3ccccc3-c3c[nH]cc3C21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
JAK2 O60674 1/20 0.42
KCNA3 P22001 2/20 0.41
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP19A1 P11511 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL16623702 0.85 GPR3 (0.50) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623708 0.79 PTPN1 (0.42) GPR3JAK2ALDH1A1GAAKDM4E
SCHEMBL16623809 0.78 GPR3 (0.44) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623803 0.78 GPR3 (0.44) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623758 0.77 GPR3 (0.43) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623768 0.77 GPR3 (0.43) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623764 0.77 GPR3 (0.43) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623703 0.75 GPR3 (0.42) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623762 0.75 GPR3 (0.42) GPR3JAK2KCNA3CYP1A2CYP2D6
SCHEMBL16623766 0.75 GPR3 (0.42) GPR3JAK2KCNA3CYP1A2CYP2D6

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 GPR3 3119/4885JAK2 1814/4885KCNA3 221/4885

“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.