SCHEMBL21717870

SCHEMBL21717870

Cc1ccc(C#N)cc1-c1ccc2c(c1)c1cccc3c4cc5ccccc5cc4n2c13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGER4 P35408 1/20 0.37
ABL1 P00519 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CHEK1 O14757 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
BRD4 O60885 1/20 0.33
LRRK2 Q5S007 1/20 0.32
MAPK14 Q16539 2/20 0.32
BRD1 O95696 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 1/20 0.31
MARK3 P27448 1/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL21717824 0.91 PTGER4 (0.41) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL21710470 0.90 ENPP3 (0.40) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL19563785 0.90 ENPP3 (0.38) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL21717872 0.88 CYP11B1 (0.37) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL21710702 0.88 CA1 (0.37) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL21710731 0.85 ENPP3 (0.37) ENPP3PTGER4CA1CA2CHEK1
SCHEMBL21710482 0.85 PTGER4 (0.38) ENPP3CYP11B1CYP11B2PTGER4ABL1
SCHEMBL21718147 0.85 ENPP3 (0.42) ENPP3PTGER4CA1CA2CHEK1
SCHEMBL22679619 0.84 ENPP3 (0.48) ENPP3CA1CA2
SCHEMBL22679611 0.84 KDM4E (0.34) CA1CA2CHEK1

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 2110/4885CYP11B1 1468/4885CYP11B2 1438/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885CYP11B1 1193/4885CYP11B2 705/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ENPP3 3165/4885CYP11B1 2860/4885CYP11B2 2600/4885

“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.