SCHEMBL16623849

SCHEMBL16623849

c1ccc2c(c1)N1c3cccc4c3-n3c(ccc3C3c5cccn5-c5ccccc5N43)C1c1cccn1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL16623840 0.75 PTPN1 (0.44) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623699 0.72 PTPN1 (0.44) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623845 0.71 PTPN1 (0.42) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623847 0.70 GPR3 (0.40) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL16623844 0.70 PTPN1 (0.41) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623848 0.67 PTPN1 (0.39) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623708 0.67 PTPN1 (0.42) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623709 0.66 PTPN1 (0.38) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623705 0.65 PTPN1 (0.37) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623695 0.65 PTPN1 (0.37) PTPN1PTPN2TSHRMAPK1SMN1; SMN2

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 PTPN1 601/4885PTPN2 514/4885TSHR 3989/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 PTPN1 1388/4885PTPN2 1697/4885TSHR 3497/4885

“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.