SCHEMBL21396725

SCHEMBL21396725

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.34
SLC22A12 Q96S37 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
MAT2A P31153 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DYRK1A Q13627 2/20 0.30
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL19062227 0.83 IMPDH2 (0.43) IMPDH2SLC22A12ALDH1A1MEN1KMT2A
SCHEMBL29412292 0.83 IMPDH2 (0.43) IMPDH2SLC22A12ALDH1A1MEN1KMT2A
SCHEMBL21396953 0.82 IMPDH2 (0.34) IMPDH2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL21396713 0.80 NCOA3 (0.38) IMPDH2ALDH1A1HPGDNPSR1MEN1
SCHEMBL22729856 0.80 MEN1 (0.35) IMPDH2SLC22A12ALDH1A1HPGDNPSR1
SCHEMBL16865110 0.78 IMPDH2 (0.47) IMPDH2ALDH1A1MEN1KMT2AAR
SCHEMBL29454044 0.78 IMPDH2 (0.47) IMPDH2ALDH1A1MEN1KMT2AAR
SCHEMBL29362692 0.78 IMPDH2 (0.47) IMPDH2ALDH1A1MEN1KMT2AAR
SCHEMBL21396718 0.77 NPSR1 (0.36) IMPDH2ALDH1A1HPGDNPSR1MEN1
SCHEMBL21396954 0.77 GRM5 (0.35) IMPDH2ALDH1A1HPGDNPSR1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (1 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 IMPDH2 2606/4885SLC22A12 224/4885ALDH1A1 825/4885

“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.