SCHEMBL16623749

SCHEMBL16623749

C1=C2C(=CC1)N1c3ccccc3-n3cccc3C1c1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16623751 0.81 GPR3 (0.33) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623718 0.80 CYP1A2 (0.37) KDM4EALDH1A1
SCHEMBL16623727 0.78 CYP1A2 (0.38) SMN1; SMN2ALDH1A1HPGD
SCHEMBL16623705 0.77 PTPN1 (0.37) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623699 0.77 PTPN1 (0.44) PTPN1PTPN2TSHRMAPK1SMN1; SMN2
SCHEMBL16623746 0.77 CYP1A2 (0.31) KDM4EALDH1A1
SCHEMBL16623817 0.77 CYP1A2 (0.31)
SCHEMBL16623822 0.77 JAK2 (0.33) KDM4EALDH1A1
SCHEMBL16623829 0.76 CYP1A2 (0.36)
SCHEMBL16623844 0.75 PTPN1 (0.41) 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.