SCHEMBL23564686

SCHEMBL23564686

Cc1cc(N)c(N)cc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
AAK1 Q2M2I8 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BRD4 O60885 1/20 0.33
PAX8 Q06710 1/20 0.33
ALOX15 P16050 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL23565060 0.83 TSHR (0.37) ABL1MAPT
SCHEMBL29760520 0.83 TSHR (0.37) ABL1MAPT
SCHEMBL15156638 0.81 NR1H2 (0.37) ABL1AAK1IRAK4BRD4PAX8
SCHEMBL18157855 0.81 ABL1 (0.39) ABL1AAK1IRAK4BRD4PAX8
SCHEMBL30369795 0.81 ABL1 (0.39) ABL1AAK1IRAK4BRD4PAX8
SCHEMBL22115129 0.77 ABL1 (0.38) ABL1IRAK4BRD4PAX8MAPT
SCHEMBL23567733 0.77 NPSR1 (0.38) GAAMAPTMAPK1
SCHEMBL21815586 0.76 ABL1 (0.36) ABL1AAK1BRD4PAX8GAA
SCHEMBL23525025 0.75 FSCN1 (0.42) GAAMAPTMAPK1
SCHEMBL23525133 0.75 CD44 (0.35) GAAMAPTMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 US disclosed
EP-4263526-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 EP disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 WO disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 WO disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK ABL1 96/4885AAK1 465/4885IRAK4 56/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK ABL1 61/4885AAK1 521/4885IRAK4 70/4885
US-20210188829-A1 Chemical Compounds ITK, HRH4, HRH1 ABL1 23/4885AAK1 402/4885IRAK4 180/4885

“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.