SCHEMBL2958703

SCHEMBL2958703

CC(=O)c1ccc(-c2sc(C(N)=O)nc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 4/20 0.59
PIK3CG P48736 4/20 0.59
PI4KB Q9UBF8 1/20 0.45
GPR52 Q9Y2T5 4/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
BRD4 O60885 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
FBP1 P09467 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B1 P14061 1/20 0.40

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
SCHEMBL688062 0.81 CDC7 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL2327834 0.81 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3099207 0.78 GPR52 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR52
SCHEMBL3164908 0.76 IKBKB (0.38) PIK3CDPIK3CAPIK3CBPIK3CGGPR52
SCHEMBL48942 0.75 PIK3CG (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL10365452 0.75 CYP3A4 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL17077697 0.74 NPC1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3096972 0.73 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL14448725 0.73 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3156596 0.71 CCNC (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
EP-1966175-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 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 (2 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 PIK3CD 10/4885PIK3CA 5/4885PIK3CB 11/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD PIK3CD 3/4885PIK3CA 4/4885PIK3CB 11/4885

“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.