SCHEMBL21718147

SCHEMBL21718147

N#Cc1ccc(-c2ccc3c(c2)c2cccc4c5cc6ccccc6cc5n3c24)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.42
PGR P06401 1/20 0.38
CHEK1 O14757 1/20 0.38
PTGER4 P35408 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PDPK1 O15530 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAP4K4 O95819 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TDO2 P48775 1/20 0.34
KAT6A Q92794 1/20 0.34
TNKS O95271 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE9A O76083 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL21718143 0.91 ENPP3 (0.41) ENPP3PGRCHEK1MAP4K4MEN1
SCHEMBL21718058 0.90 ENPP3 (0.42) ENPP3PGRCHEK1PTGER4CA1
SCHEMBL22679619 0.89 ENPP3 (0.48) ENPP3CA1CA2MEN1KMT2A
SCHEMBL21710647 0.89 PTGER4 (0.41) ENPP3PGRCHEK1PTGER4MAP4K4
SCHEMBL19563850 0.89 ENPP3 (0.40) ENPP3PGRCHEK1PTGER4CA1
SCHEMBL21717834 0.86 CA1 (0.40) ENPP3PGRPTGER4CA1CA2
SCHEMBL21718165 0.86 ESR1 (0.38)
SCHEMBL21718140 0.86 ESR1 (0.38)
SCHEMBL21710725 0.85 ESR1 (0.37)
SCHEMBL25005683 0.84 CYP17A1 (0.39) ENPP3PGRCHEK1PDPK1KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 (3 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ENPP3 2110/4885PGR 448/4885CHEK1 3217/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885PGR 1075/4885CHEK1 2922/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ENPP3 3165/4885PGR 1914/4885CHEK1 3582/4885

“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.