SCHEMBL29642993

SCHEMBL29642993

c1cc2[nH]c3ccncc3c2cn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.78
PARP1 P09874 2/20 0.61
KIF11 P52732 1/20 0.58
CHUK O15111 4/20 0.58
KDM4E B2RXH2 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
IKBKB O14920 1/20 0.58
AURKA O14965 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PIM1 P11309 1/20 0.58
TOP1 P11387 1/20 0.58
GABRA1 P14867 1/20 0.58
IDO1 P14902 1/20 0.58
HPGD P15428 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
GABRB3 P28472 1/20 0.58

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
SCHEMBL972999 1.00 ACHE (0.78) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL29478498 0.91 CHUK (0.73) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12590220 0.91 CHUK (0.73) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL121401 0.89 ACHE (1.00) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL29382084 0.89 ACHE (1.00) ACHEPARP1KIF11CHUKKDM4E
Hydrochloric Acid SCHEMBL4436954 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
Water SCHEMBL2197266 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
Hydrochloric Acid SCHEMBL3234011 0.87 ACHE (0.96) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12396546 0.85 ACHE (0.61) ACHEPARP1KIF11CHUKKDM4E
SCHEMBL12166058 0.82 CHUK (0.77) ACHEPARP1KIF11CHUKGABRP

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-20260096344-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2026-04-02 US disclosed
CN-118496252-A Boron-containing condensed-ring compound and electronic device 中国科学技术大学 2024-08-16 CN disclosed
CN-114524837-B Condensed-cyclic compound containing boron nitrogen and dendritic structure, preparation method and application thereof, and organic electroluminescent device 中国科学院长春应用化学研究所 2024-02-13 CN disclosed
US-11608333-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-03-21 US disclosed
CN-112500397-B Organic electroluminescent material with dibenzofuran-connected anthracene core structure and preparation method and device thereof 武汉尚赛光电科技有限公司 2022-11-11 CN disclosed
CN-114524837-A Condensed ring compound containing boron nitrogen and dendritic structure, preparation method and application thereof, and organic electroluminescent device 中国科学院长春应用化学研究所 2022-05-24 CN 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 (2 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-20260096344-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND CRY1, LBR, CXCR1 ACHE 1531/4885PARP1 756/4885KIF11 4509/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ACHE 251/4885PARP1 2674/4885KIF11 3380/4885

“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.