SCHEMBL21717347

SCHEMBL21717347

N#Cc1cccc(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
ALDH1A3 P47895 1/20 0.41
CLK4 Q9HAZ1 7/20 0.40
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 6/20 0.40
ALDH1A1 P00352 5/20 0.40
PTPN5 P54829 1/20 0.40
ADORA2A P29274 1/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GABRA1 P14867 1/20 0.40
CHEK1 O14757 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
HIF1A Q16665 2/20 0.39

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
SCHEMBL22679622 0.94 MAP4K4 (0.39) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL22679437 0.91 MAP4K4 (0.42) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL16621770 0.91 CYP19A1 (0.38) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL21710647 0.90 PTGER4 (0.41) MAP4K4CHEK1PTGER4PGR
SCHEMBL16621708 0.89 CYP19A1 (0.38) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL16621724 0.89 CYP19A1 (0.38) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL21718143 0.89 ENPP3 (0.41) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL16621686 0.88 CYP19A1 (0.38) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL16621695 0.88 CYP19A1 (0.38) MAP4K4ALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL21717825 0.86 ENPP3 (0.43) ALDH1A1MEN1KMT2APTGER4

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-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-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 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 MAP4K4 4007/4885ALDH1A3 187/4885CLK4 2184/4885
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 MAP4K4 4007/4885ALDH1A3 187/4885CLK4 2184/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 MAP4K4 3274/4885ALDH1A3 71/4885CLK4 3061/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 MAP4K4 4587/4885ALDH1A3 302/4885CLK4 3234/4885

“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.