SCHEMBL925524

SCHEMBL925524

CC(=O)Nc1nc(C)c(-c2cnc(N)c([N+](=O)[O-])c2)s1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.52
PIK3CB P42338 8/20 0.52
PIK3CG P48736 13/20 0.51
PIK3CD O00329 7/20 0.51
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL924835 0.87 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGPIK3CDMEN1
SCHEMBL924534 0.87 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3CDMEN1
SCHEMBL924993 0.85 PIK3CG (0.50) PIK3CAPIK3CBPIK3CGPIK3CDMEN1
SCHEMBL924890 0.81 PIK3CA (0.61) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL925214 0.80 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL924832 0.78 PIK3CG (0.60) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL924229 0.77 PIK3CB (0.67) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL924582 0.77 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL924822 0.75 PIK3CG (0.54) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL48371 0.75 PIK3CD (0.67) PIK3CAPIK3CBPIK3CGPIK3CDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US disclosed
EP-1841763-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2007-10-10 EP disclosed
WO-2006051270-A1 5-HETEROARYL THIAZOLES AND THEIR USE AS P13K INHIBITORS ASTRAZENECA AB (SE) 2006-05-18 WO 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-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA PIK3CA 3/4885PIK3CB 18/4885PIK3CG 16/4885

“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.