SCHEMBL16623844

SCHEMBL16623844

c1ccc2c(c1)-c1cc3c(cc1N1c4ccccc4-n4cccc4C21)-c1ccccc1C1c2cccn2-c2ccccc2N31

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 3/20 0.33
GPR3 P46089 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32

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
SCHEMBL16623699 0.90 PTPN1 (0.44) PTPN1PTPN2CYP19A1CYP1A2GPR3
SCHEMBL17521556 0.85 PTPN2 (0.32) PTPN1PTPN2
SCHEMBL16623845 0.83 PTPN1 (0.42) PTPN1PTPN2CYP1A2GPR3TSHR
SCHEMBL16623848 0.81 PTPN1 (0.39) PTPN1PTPN2TSHRMAPK1ALDH1A1
SCHEMBL16623803 0.78 GPR3 (0.44) CYP19A1CYP1A2GPR3CYP2D6ALDH1A1
SCHEMBL16623706 0.78 PTPN1 (0.39) PTPN1PTPN2TSHRMAPK1ALDH1A1
SCHEMBL16623840 0.78 PTPN1 (0.44) PTPN1PTPN2CYP1A2TSHRMAPK1
SCHEMBL16623846 0.76 PTPN1 (0.40) PTPN1PTPN2CYP1A2TSHRMAPK1
SCHEMBL16623708 0.75 PTPN1 (0.42) PTPN1PTPN2GPR3TSHRMAPK1
SCHEMBL16623749 0.75 PTPN1 (0.36) PTPN1PTPN2TSHRMAPK1ALDH1A1

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 514/4885CYP19A1 2633/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 PTPN1 1388/4885PTPN2 1697/4885CYP19A1 450/4885

“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.