SCHEMBL3141105

SCHEMBL3141105

COc1cc(-c2ccc3nc(NC(C)=O)sc3c2)cnc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 1.00
PIK3CA P42336 8/20 1.00
CYP3A4 P08684 3/20 0.70
NPC1 O15118 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
DYRK1A Q13627 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
AKT1 P31749 2/20 0.57
MTOR P42345 2/20 0.57

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
SCHEMBL1621112 0.87 PIK3CG (0.79) PIK3CGPIK3CACYP3A4AKT1MTOR
SCHEMBL1621844 0.87 PIK3CG (0.79) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL3137982 0.86 PIK3CA (1.00) PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL3136731 0.85 PIK3CA (0.78) PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL13188180 0.83 PIK3CG (0.72) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL3142719 0.83 PIK3CA (1.00) PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL1621705 0.82 PIK3CG (1.00) PIK3CGPIK3CACYP3A4NPC1CYP1A2
SCHEMBL3146231 0.82 PIK3CA (1.00) PIK3CGPIK3CACYP3A4DYRK1AAKT1
SCHEMBL3131485 0.82 PIK3CA (1.00) PIK3CGPIK3CACYP3A4DYRK1A
SCHEMBL1621511 0.81 PIK3CA (0.76) PIK3CGPIK3CACYP3A4DYRK1AAKT1

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CG 4/4885PIK3CA 1/4885CYP3A4 4192/4885

“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.