SCHEMBL16623759

SCHEMBL16623759

C1=NC2=C(C1)c1ccccc1C1c3ccccc3-c3ccccc3N21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
CYP1A2 P05177 2/20 0.35
GPR3 P46089 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
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
SCHEMBL16623754 0.77 JAK2 (0.36) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623702 0.75 GPR3 (0.50) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623722 0.72 CYP1A2 (0.36) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623713 0.69 JAK2 (0.36) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623809 0.69 GPR3 (0.44) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623758 0.67 GPR3 (0.43) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623764 0.67 GPR3 (0.43) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623703 0.66 GPR3 (0.42) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623762 0.66 GPR3 (0.42) JAK2CYP1A2GPR3CYP2D6CYP19A1
SCHEMBL16623766 0.66 GPR3 (0.42) JAK2CYP1A2GPR3CYP2D6CYP19A1

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 JAK2 1814/4885CYP1A2 2204/4885GPR3 3119/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 JAK2 39/4885CYP1A2 483/4885GPR3 3267/4885

“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.