SCHEMBL21980246

SCHEMBL21980246

C[C@H](NC(=O)O)c1nc2cccc(Br)c2c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.53
PIK3CG P48736 8/20 0.52
PIK3CA P42336 6/20 0.52
PIK3CB P42338 6/20 0.52
PIK3R1 P27986 6/20 0.48
PIK3R2 O00459 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL15812851 1.00 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL17458124 0.90 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15813050 0.88 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL17458081 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15816034 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15816035 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15812952 0.86 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL16583372 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL14991907 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL21980236 0.86 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 PIK3CD 17/4885PIK3CG 24/4885PIK3CA 14/4885

“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.