SCHEMBL23988607

SCHEMBL23988607

C=CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
TGM2 P21980 3/20 0.50
EPHB4 P54760 2/20 0.48
TEK Q02763 2/20 0.48
KDR P35968 1/20 0.48
CA2 P00918 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL23988608 0.92 EPHB4 (0.47) PGRTGM2EPHB4TEKKDR
SCHEMBL20885062 0.86 TGM2 (0.55) TGM2EPHB4TEKKDRCA2
SCHEMBL23988634 0.85 TGM2 (0.58) PGRTGM2CA2MEN1KMT2A
SCHEMBL20885030 0.82 LMNA (0.57) TGM2EPHB4TEKKDRCA2
SCHEMBL23988655 0.81 TGM2 (0.50) TGM2MEN1KMT2AADORA3SLC6A3
SCHEMBL23988635 0.81 BTK (0.52) PGRTGM2ALDH1A1MAPTBTK
SCHEMBL9568604 0.80 TGM2 (0.64) TGM2CA2MEN1KMT2AHDAC1
SCHEMBL9568796 0.79 TGM2 (0.58) PGRTGM2MEN1KMT2AHDAC1
SCHEMBL6880720 0.79 PGR (0.64) PGRCA2MEN1KMT2AHDAC8
SCHEMBL17660300 0.79 EPHB4 (0.61) TGM2EPHB4TEKKDRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 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-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB PGR 706/4885TGM2 2619/4885EPHB4 1972/4885

“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.