SCHEMBL4081950

SCHEMBL4081950

O=Cc1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.49
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NPY5R Q15761 1/20 0.38
▸ UNG P13051 1/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ DYRK2 Q92630 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37

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
SCHEMBL29935659 1.00 CDK8 (0.49) CDK8TRIM24TRIM33BRD4AXL
SCHEMBL1785182 0.85 DRD1 (0.47) CDK8TRIM24TRIM33AXLCA12
Valine SCHEMBL7594946 0.82 CDK8 (0.39) CDK8TRIM24TRIM33BRD4AXL
SCHEMBL5468496 0.81 IDO1 (0.37) CYP2A6
SCHEMBL7030925 0.78 DRD1 (0.39) BRD4ALDH1A1CYP2A6
SCHEMBL27753863 0.76 ALDH1A1 (0.40) CDK8TRIM24TRIM33AXLALDH1A1
SCHEMBL4564602 0.75 CDK8 (0.44) CDK8TRIM24TRIM33BRD4AXL
SCHEMBL346974 0.74 TRIM24 (0.64) CDK8TRIM24TRIM33BRD4AXL
SCHEMBL17900086 0.74 GP6 (0.46) MAOA
SCHEMBL29484275 0.74 GP6 (0.46) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023201012-A1 IKZF2 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-19 — — WO disclosed
CN-111601807-B Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2023-03-31 — — CN disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 — — US disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 — — US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 — — US disclosed
CN-111601807-A Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2020-08-28 — — CN disclosed
CN-108503588-B A kind of 3- methylpyrazole benzaldehyde contracting 4-AA schiff bases and preparation method thereof 齐鲁工业大学 2019-08-09 — — CN disclosed
CN-108503588-A A kind of 3- methylpyrazoles benzaldehyde contracting 4-AA schiff bases and preparation method thereof 齐鲁工业大学 2018-09-07 — — CN disclosed
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 — — WO disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 — — EP disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 — — WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — 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-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED CDK8 1069/4885TRIM24 294/4885TRIM33 1118/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 CDK8 1403/4885TRIM24 177/4885TRIM33 672/4885

“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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