SCHEMBL23988609

SCHEMBL23988609

C=CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(C)CCC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.47
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3C2G O75747 1/20 0.42
PIK3CG P48736 1/20 0.42
TGM2 P21980 2/20 0.42
CYP19A1 P11511 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL23988635 0.88 BTK (0.52) BTKKDM4ETGM2CYP19A1LMNA
SCHEMBL9568733 0.81 BTK (0.63) BTKKDM4ECA1CA2PIK3CD
SCHEMBL9568677 0.80 TGM2 (0.58) BTKTGM2
SCHEMBL23988608 0.80 EPHB4 (0.47) BTKKDM4ECA2PIK3CDPIK3C2G
SCHEMBL20885071 0.78 LMNA (0.51) KDM4ECA1CA2TGM2LMNA
SCHEMBL23988636 0.77 EGFR (0.49) BTKPIK3CDPIK3C2GPIK3CGTGM2
SCHEMBL9568667 0.76 TGM2 (0.55) BTKTGM2LMNA
SCHEMBL23988634 0.75 TGM2 (0.58) KDM4ECA1CA2TGM2LMNA
SCHEMBL9568629 0.73 TGM2 (0.58) BTKKDM4ETGM2SMN1; SMN2
SCHEMBL9568796 0.72 TGM2 (0.58) TGM2LMNA

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 BTK 58/4885KDM4E 2713/4885CA1 4677/4885

“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.