SCHEMBL16623751

SCHEMBL16623751

C1=C2C(=CC1)n1cccc1C1c3ccccc3-c3ccccc3N21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 2/20 0.32
CYP19A1 P11511 1/20 0.32
PTPN2 P17706 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL16623749 0.81 PTPN1 (0.36) PTPN1PTPN2SMN1; SMN2TSHRMAPK1
SCHEMBL16623699 0.79 PTPN1 (0.44) GPR3CYP1A2CYP2D6PTPN1CYP19A1
SCHEMBL16623718 0.77 CYP1A2 (0.37) GPR3CYP1A2CYP2D6CYP19A1JAK2
SCHEMBL16623735 0.73 GPR3 (0.34) GPR3CYP1A2CYP2D6JAK2
SCHEMBL16623757 0.73 GPR3 (0.32) GPR3CYP1A2CYP2D6PTPN1CYP19A1
SCHEMBL16623738 0.72 GPR3 (0.31) GPR3CYP1A2CYP2D6PTPN1CYP19A1
SCHEMBL16623844 0.71 PTPN1 (0.41) GPR3CYP1A2CYP2D6PTPN1CYP19A1
SCHEMBL16623822 0.70 JAK2 (0.33) GPR3CYP1A2CYP2D6JAK2
SCHEMBL16623702 0.69 GPR3 (0.50) GPR3CYP1A2CYP2D6CYP19A1JAK2
SCHEMBL16623845 0.69 PTPN1 (0.42) GPR3CYP1A2PTPN1PTPN2SMN1; 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 GPR3 3119/4885CYP1A2 2204/4885CYP2D6 3674/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 GPR3 3267/4885CYP1A2 483/4885CYP2D6 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.