SCHEMBL16623745

SCHEMBL16623745

c1ccc2c(c1)-c1ncccc1N1c3cccnc3-c3ccccc3C21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
CYP19A1 P11511 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
PAX8 Q06710 1/20 0.38
RIN1 Q13671 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL16623753 0.95 JAK2 (0.43) JAK2ALDH1A1HTTHSD17B10PTPRC
SCHEMBL16623853 0.92 JAK2 (0.36) JAK2ALDH1A1HTTHSD17B10PTPRC
SCHEMBL16623739 0.76 JAK2 (0.44) JAK2ALDH1A1HTTHSD17B10CYP19A1
SCHEMBL3099726 0.75 GPR3 (0.62) ALDH1A1HTTHSD17B10PTPRCCTSL
SCHEMBL16623855 0.74 CYP19A1 (0.36) JAK2ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL16623702 0.74 GPR3 (0.50) JAK2ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL16623747 0.74 CYP19A1 (0.44) JAK2ALDH1A1PTPRCCTSLCTSS
SCHEMBL16623768 0.70 GPR3 (0.43) JAK2ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL16623758 0.70 GPR3 (0.43) JAK2ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL16623764 0.70 GPR3 (0.43) JAK2ALDH1A1CYP19A1MEN1KMT2A

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 1814/4885ALDH1A1 2463/4885HTT 2884/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 JAK2 39/4885ALDH1A1 1610/4885HTT 1334/4885

“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.