SCHEMBL18868783

SCHEMBL18868783

C=C/C(=N\C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.46
▸ ATM Q13315 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ G6PC1 P35575 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20470769 1.00 AKT1 (0.46) AKT1ATMALDH1A1LMNATSHR
SCHEMBL18914874 0.82 AKT1 (0.39) AKT1ATMALDH1A1LMNACES2
SCHEMBL18868479 0.80 KMO (0.47) AKT1LMNATDP1MAPT
SCHEMBL20999159 0.79 AKT1 (0.36) AKT1ATMALDH1A1LMNATSHR
SCHEMBL27910238 0.79 AKT1 (0.48) AKT1ATMALDH1A1TSHRCES2
SCHEMBL13716855 0.77 F2 (0.36) AKT1ATMALDH1A1LMNATSHR
SCHEMBL19773599 0.77 AKT1 (0.46) AKT1ATMALDH1A1TSHRCES2
SCHEMBL21943573 0.77 AKT1 (0.42) AKT1ATMALDH1A1LMNATSHR
SCHEMBL20674777 0.77 AKT1 (0.42) AKT1ATMALDH1A1LMNACES2
SCHEMBL21943566 0.77 AKT1 (0.42) AKT1ATMALDH1A1LMNATSHR

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-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-20230337529-A1 ORGANIC LIGHT-EMITTING DEVICE AND COMPOSITION FOR FORMING ORGANIC MATERIAL LAYER LT MATERIALS CO., LTD. (KR) 2023-10-19 — — US disclosed
US-11588117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-02-21 — — US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 — — US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — 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 (5 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF AKT1 4855/4885ATM 2385/4885ALDH1A1 1461/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 AKT1 4815/4885ATM 3874/4885ALDH1A1 3771/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 AKT1 4770/4885ATM 3760/4885ALDH1A1 3721/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 AKT1 4815/4885ATM 3874/4885ALDH1A1 3771/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 AKT1 3070/4885ATM 4021/4885ALDH1A1 1092/4885

“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.

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