SCHEMBL21717825

SCHEMBL21717825

N#Cc1ccc2c(c1)c1cccc3c4ccccc4n2c31

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.43
PTGER4 P35408 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
RORC P51449 9/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
DUSP3 P51452 1/20 0.36

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
SCHEMBL38652911 1.00 ENPP3 (0.43) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034921 0.95 ENPP3 (0.42) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034923 0.95 ENPP3 (0.42) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034881 0.92 AR (0.39) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034883 0.91 ENPP3 (0.40) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034888 0.91 ENPP3 (0.40) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034887 0.91 ENPP3 (0.40) ENPP3PTGER4CA1CA2RORC
SCHEMBL29729688 0.90 ENPP3 (0.43) ENPP3PTGER4CA1CA2RORC
SCHEMBL24034878 0.89 ENPP3 (0.38) ENPP3PTGER4CA1CA2RORC
SCHEMBL22679619 0.88 ENPP3 (0.48) ENPP3CA1CA2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029119-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-07-02 US disclosed
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 (4 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-12029119-B2 Organic electroluminescence element and electronic device LEF1, L1CAM, ESR2 ENPP3 2110/4885PTGER4 2157/4885CA1 2666/4885
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ENPP3 2110/4885PTGER4 2157/4885CA1 2666/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885PTGER4 3243/4885CA1 2333/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ENPP3 3165/4885PTGER4 4325/4885CA1 2980/4885

“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.