SCHEMBL22824729

SCHEMBL22824729

Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)Nc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ MAPKAPK2 P49137 6/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ SCN4A P35499 1/20 0.36

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
SCHEMBL27118659 0.89 NAMPT (0.42) NAMPTGSK3BDYRK1ALMNATDP1
SCHEMBL21316476 0.88 NAMPT (0.46) NAMPTGSK3BDYRK1AMEN1POLB
SCHEMBL29790453 0.87 NAMPT (0.46) NAMPTGSK3BDYRK1AMEN1KMT2A
SCHEMBL18574433 0.86 NAMPT (0.45) NAMPTMEN1LMNAPOLBPKM
SCHEMBL19739249 0.84 SCN3A (0.41) NAMPTGSK3BDYRK1AMAP4K4SCN3A
SCHEMBL19739081 0.83 SMN1; SMN2 (0.43) MAP4K4LMNAPOLBKMT2ASCN3A
SCHEMBL2390936 0.82 GSK3B (0.40) NAMPTGSK3BDYRK1AMEN1KMT2A
SCHEMBL2389887 0.82 GSK3B (0.40) NAMPTGSK3BDYRK1AMEN1KMT2A
SCHEMBL6428501 0.81 GSK3B (0.41) NAMPTGSK3BDYRK1AMEN1KMT2A
SCHEMBL26073602 0.81 CYP17A1 (0.43) NAMPTGSK3BDYRK1AMAP4K4SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 — — US disclosed
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-24 — — 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 (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-20200397914-A1 BENZODIAZEPINE DERIVATIVES GABRA5, GABRA3, GABRA1 NAMPT 4296/4885MAPKAPK2 3317/4885GSK3B 125/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 NAMPT 4244/4885MAPKAPK2 4003/4885GSK3B 158/4885

“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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