SCHEMBL16623747

SCHEMBL16623747

c1ccc2c(c1)-c1cccnc1N1c3ncccc3-c3ccccc3C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
CYP1A2 P05177 5/20 0.43
CYP2D6 P10635 5/20 0.43
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL16623739 0.90 JAK2 (0.44) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623855 0.84 CYP19A1 (0.36) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623745 0.74 JAK2 (0.40) CYP19A1ALDH1A1MEN1KMT2AJAK2
SCHEMBL16623753 0.74 JAK2 (0.43) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623702 0.69 GPR3 (0.50) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623853 0.68 JAK2 (0.36) CYP19A1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL16623743 0.67 CYP19A1 (0.46) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623755 0.67 CYP19A1 (0.46) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL16623809 0.67 GPR3 (0.44) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL8847333 0.65 CYP1A2 (0.42) CYP19A1CYP1A2CYP2D6ALDH1A1MEN1

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 2633/4885CYP1A2 2204/4885CYP2D6 3674/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 CYP19A1 450/4885CYP1A2 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.