SCHEMBL19300441

SCHEMBL19300441

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CES2 O00748 3/20 0.35
▸ CES1 P23141 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ DAO P14920 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL19101609 0.81 TSHR (0.32) AKT1ATMCES1ALDH1A1TSHR
SCHEMBL20625867 0.81 MEN1 (0.32) AKT1ATMMAPK1MEN1KMT2A
SCHEMBL22071895 0.81 LMNA (0.36) AKT1ATMCES2CES1ALDH1A1
SCHEMBL21746859 0.81 CES2 (0.33) AKT1ATMCES2CES1ALDH1A1
SCHEMBL20653559 0.81 MAOA (0.34) AKT1ATM
SCHEMBL21253891 0.79 AKT1 (0.37) AKT1ATMCES2CES1ALDH1A1
SCHEMBL19046658 0.79 AKT1 (0.37) AKT1ALDH1A1TSHRDAONAPRT
SCHEMBL23183270 0.79 ATM (0.41) AKT1ATMCES2CES1ALDH1A1
SCHEMBL22988641 0.79 KMT2A (0.37) AKT1ATMCES2CES1ALDH1A1
SCHEMBL24975608 0.79 AKT1 (0.33) AKT1ATMCES2CES1ALDH1A1

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
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 — — WO disclosed
WO-2021057264-A1 COMPOUND, PHOTOELECTRIC CONVERSION DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-04-01 — — WO disclosed
EP-2477999-B1 FORMULATIONS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-23 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 AKT1 4770/4885ATM 3760/4885CES2 2602/4885

“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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