SCHEMBL16623718

SCHEMBL16623718

C1=C2C(=CC1)N1c3ccccc3-c3ccccc3C1c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
GPR3 P46089 1/20 0.37
CYP2D6 P10635 1/20 0.37
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNA3 P22001 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 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
SCHEMBL16623822 0.93 JAK2 (0.33) CYP1A2GPR3CYP2D6JAK2ALDH1A1
SCHEMBL16623829 0.89 CYP1A2 (0.36) CYP1A2CYP2D6CYP19A1
SCHEMBL16623727 0.89 CYP1A2 (0.38) CYP1A2CYP2D6ALDH1A1POLBCYP19A1
SCHEMBL16623746 0.87 CYP1A2 (0.31) CYP1A2CYP2D6ALDH1A1GAAKDM4E
SCHEMBL16623735 0.87 GPR3 (0.34) CYP1A2GPR3CYP2D6JAK2ALDH1A1
SCHEMBL16623817 0.87 CYP1A2 (0.31) CYP1A2CYP2D6
SCHEMBL16623835 0.86
SCHEMBL16623839 0.82 CYP1A2 (0.30) CYP1A2CYP2D6
SCHEMBL16623749 0.80 PTPN1 (0.36) ALDH1A1KDM4E
SCHEMBL16623731 0.80 CYP1A2 (0.33) CYP1A2GPR3CYP2D6JAK2

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 CYP1A2 2204/4885GPR3 3119/4885CYP2D6 3674/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 CYP1A2 483/4885GPR3 3267/4885CYP2D6 1048/4885

“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.