SCHEMBL16623853

SCHEMBL16623853

c1ccc2c(c1)-c1ncccc1N1c3cccc4c3-c3c(cccc3C3c5ccccc5-c5ncccc5N43)C21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL16623745 0.92 JAK2 (0.40) JAK2CYP19A1ALDH1A1HTTHSD17B10
SCHEMBL16623753 0.88 JAK2 (0.43) JAK2CYP19A1ALDH1A1HTTHSD17B10
SCHEMBL16623855 0.84 CYP19A1 (0.36) JAK2CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL16623703 0.80 GPR3 (0.42) JAK2CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL16623762 0.80 GPR3 (0.42) JAK2CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL16623766 0.80 GPR3 (0.42) JAK2CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17521551 0.79 GPR3 (0.41) JAK2CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL16623851 0.77 CYP19A1 (0.39) JAK2CYP19A1ALDH1A1GAACYP1A2
SCHEMBL16623854 0.77 JAK2 (0.40) JAK2CYP19A1GAACYP1A2CYP3A4
SCHEMBL16623768 0.75 GPR3 (0.43) JAK2CYP19A1ALDH1A1MEN1KMT2A

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 1814/4885CYP19A1 2633/4885ALDH1A1 2463/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 JAK2 39/4885CYP19A1 450/4885ALDH1A1 1610/4885

“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.