SCHEMBL16623762

SCHEMBL16623762

c1ccc2c(c1)-c1ccccc1N1c3cccc4c3-c3c(cccc3C3c5cccc6c5-c5c(cccc5N43)N3c4ccccc4-c4ccccc4C63)C21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
JAK2 O60674 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNA3 P22001 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HTR2A P28223 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
IDO1 P14902 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
SCHEMBL16623766 1.00 GPR3 (0.42) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623703 1.00 GPR3 (0.42) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL17521551 0.98 GPR3 (0.41) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623764 0.94 GPR3 (0.43) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623758 0.94 GPR3 (0.43) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623768 0.94 GPR3 (0.43) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623852 0.89 CYP19A1 (0.38) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623702 0.88 GPR3 (0.50) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623782 0.86 GPR3 (0.43) GPR3JAK2CYP1A2CYP2D6CYP19A1
SCHEMBL16623854 0.85 JAK2 (0.40) GPR3JAK2CYP1A2CYP2D6CYP19A1

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 5 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-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 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 (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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 GPR3 3119/4885JAK2 1814/4885CYP1A2 2204/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 GPR3 3267/4885JAK2 39/4885CYP1A2 483/4885

“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.