SCHEMBL16623755

SCHEMBL16623755

c1ccc2c(c1)-c1cnccc1N1c3ccncc3-c3ccccc3C21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
JAK2 O60674 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 1/20 0.33
GPR3 P46089 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL16623741 0.97 JAK2 (0.44) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623851 0.89 CYP19A1 (0.39) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623752 0.86 JAK2 (0.47) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623743 0.86 CYP19A1 (0.46) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623861 0.82 JAK2 (0.43) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623702 0.78 GPR3 (0.50) CYP19A1JAK2CYP1A2CYP2D6CYP3A4
SCHEMBL16623854 0.77 JAK2 (0.40) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623850 0.77 CYP19A1 (0.39) CYP19A1JAK2MAOAMAOBCYP1A2
SCHEMBL16623852 0.73 CYP19A1 (0.38) CYP19A1JAK2CYP1A2CYP2D6CYP3A4
SCHEMBL16623803 0.72 GPR3 (0.44) CYP19A1JAK2CYP1A2CYP2D6CYP3A4

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 CYP19A1 2633/4885JAK2 1814/4885MAOA 355/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 CYP19A1 450/4885JAK2 39/4885MAOA 1416/4885

“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.