SCHEMBL23988655

SCHEMBL23988655

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.50
NAMPT P43490 3/20 0.49
EGFR P00533 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BTK Q06187 1/20 0.46
PIK3CD O00329 1/20 0.45
AURKA O14965 1/20 0.45
PIK3C2G O75747 1/20 0.45

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
SCHEMBL23988636 0.92 EGFR (0.49) TGM2EGFRMEN1KMT2ABTK
SCHEMBL20885061 0.86 NAMPT (0.64) TGM2NAMPTEGFRTHRATHRB
SCHEMBL23988607 0.81 PGR (0.54) TGM2HDAC1HDAC8HDAC3HDAC4
SCHEMBL9568604 0.80 TGM2 (0.64) TGM2HDAC1HDAC8HDAC3HDAC4
SCHEMBL27387852 0.80 KMT2A (0.58) MEN1KMT2AALDH1A1POLBHTR6
SCHEMBL9568796 0.79 TGM2 (0.58) TGM2HDAC1HDAC8HDAC3HDAC4
SCHEMBL1696862 0.79 HTR6 (0.68) HDAC8HDAC2HDAC6MEN1KMT2A
SCHEMBL18808346 0.79 EGFR (0.63) TGM2EGFRHDAC1HDAC8HDAC3
SCHEMBL3821674 0.78 ALDH1A1 (0.71) TGM2HDAC1HDAC8HDAC4MEN1
SCHEMBL9568792 0.78 ALDH1A1 (0.71) TGM2HDAC1HDAC8HDAC4MEN1

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 TGM2 2619/4885NAMPT 1563/4885EGFR 1482/4885

“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.