SCHEMBL21710465

SCHEMBL21710465

N#Cc1cccc(-c2cc3c4ccccc4n4c5cc6ccccc6cc5c(c2)c34)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.40
ADORA2A P29274 1/20 0.39
CYP1A2 P05177 8/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 5/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ALDH1A3 P47895 1/20 0.38
IDO1 P14902 1/20 0.37
CLK4 Q9HAZ1 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C19 P33261 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 3/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL19563851 0.95 IKBKB (0.41) ENPP3ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL21718143 0.91 ENPP3 (0.41) ENPP3ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL22679437 0.91 MAP4K4 (0.42) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL21718058 0.87 ENPP3 (0.42) ENPP3MEN1KMT2AHIF1AKDM4E
SCHEMBL21717347 0.85 MAP4K4 (0.43) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL21710654 0.85 ENPP3 (0.43) ENPP3ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL22679622 0.85 MAP4K4 (0.39) ADORA2ACYP1A2CYP3A4CYP2D6LMNA
SCHEMBL21717829 0.84 CA1 (0.38) ENPP3ADORA2ACYP1A2CYP3A4CYP2D6
SCHEMBL21718043 0.84 ESR1 (0.36) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL19563819 0.83 CYP11B1 (0.45) ENPP3CHEK1

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-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-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-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed
US-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 2110/4885ADORA2A 4512/4885CYP1A2 1303/4885
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 ENPP3 2238/4885ADORA2A 3109/4885CYP1A2 259/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 ENPP3 3165/4885ADORA2A 3275/4885CYP1A2 2052/4885

“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.