SCHEMBL22234367

SCHEMBL22234367

N#Cc1ccc(-c2cc(N)c3ccccc3c2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.40
▸ MAP4K4 O95819 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PDK2 Q15119 1/20 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
SCHEMBL29541238 0.80 ALDH1A1 (0.48) MAP4K4TSHRKDM4EALDH1A1GAA
SCHEMBL22234100 0.78 CTSB (0.51) TNKSTSHRKDM4EALDH1A1MEN1
SCHEMBL30153654 0.78 MMP3 (0.46) MAP4K4ALDH1A1CA1CA2MMP3
SCHEMBL30494512 0.78 MMP3 (0.46) MAP4K4ALDH1A1CA1CA2MMP3
SCHEMBL4933933 0.77 CA1 (0.47) TNKSTSHRCA1CA2HRH4
SCHEMBL18322222 0.76 TSHR (0.52) TNKSTSHRALDH1A1CA1CA2
SCHEMBL30451858 0.76 TSHR (0.52) TNKSTSHRALDH1A1CA1CA2
SCHEMBL1705257 0.74 ALDH1A1 (0.58) TSHRKDM4EALDH1A1GAACA1
SCHEMBL13192001 0.74 TSHR (0.46) TNKSTSHRCA1CA2MAOB
SCHEMBL29904188 0.74 MAP4K4 (0.44) MAP4K4CA1CA2HRH4MMP3

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-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 — — US disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 — — US disclosed
WO-2020150446-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-07-23 — — WO disclosed
WO-2020150446-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-07-23 — — WO 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-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TNKS 2978/4885MAP4K4 258/4885TSHR 4687/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TNKS 2978/4885MAP4K4 258/4885TSHR 4687/4885

“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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