SCHEMBL21717829

SCHEMBL21717829

N#Cc1cccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ADORA2A P29274 1/20 0.37
CYP1A2 P05177 8/20 0.36
CYP3A4 P08684 7/20 0.36
CYP2D6 P10635 5/20 0.36
LMNA P02545 5/20 0.36
TP53 P04637 2/20 0.36
ENPP3 O14638 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 6/20 0.36
CLK4 Q9HAZ1 5/20 0.36
CYP2C19 P33261 4/20 0.36
MAPK1 P28482 3/20 0.36
USP2 O75604 2/20 0.36
ALDH1A3 P47895 1/20 0.36
IDO1 P14902 1/20 0.35
PGR P06401 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35

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
SCHEMBL21710487 0.89 CA1 (0.39) CA1CA2ADORA2ACYP1A2CYP3A4
SCHEMBL21710708 0.88 CA1 (0.40) CA1CA2ENPP3PGRMEN1
SCHEMBL22679444 0.88 PDPK1 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL22679437 0.88 MAP4K4 (0.42) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL22679280 0.86 CA1 (0.41) CA1CA2CYP1A2CYP3A4LMNA
SCHEMBL21710477 0.85 PTGES (0.34) CYP1A2LMNATSHRALDH1A1MEN1
SCHEMBL22679274 0.85 ENPP3 (0.39) CA1CA2ADORA2ACYP1A2CYP3A4
SCHEMBL21710465 0.84 ENPP3 (0.40) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL21710705 0.84 PTGES (0.36) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL21717347 0.82 MAP4K4 (0.43) ADORA2ACYP1A2CYP3A4CYP2D6LMNA

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 4 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-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-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 CA1 2666/4885CA2 1903/4885ADORA2A 4512/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 CA1 2333/4885CA2 2351/4885ADORA2A 3109/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 CA1 2980/4885CA2 3016/4885ADORA2A 3275/4885

“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.