SCHEMBL3134302

SCHEMBL3134302

CC(=O)Nc1nc2ccc(-c3cnc(NC(C)=O)c(C(F)(F)F)c3)cc2s1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.79
CYP3A4 P08684 2/20 0.79
PIK3CG P48736 11/20 0.62
AKT1 P31749 2/20 0.60
DYRK1A Q13627 2/20 0.60
MTOR P42345 1/20 0.57
PDPK1 O15530 1/20 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
SCHEMBL3146231 0.88 PIK3CA (1.00) PIK3CACYP3A4PIK3CGAKT1DYRK1A
SCHEMBL1621399 0.83 PIK3CA (0.70) PIK3CACYP3A4PIK3CGAKT1DYRK1A
SCHEMBL1946980 0.81 PIK3CD (0.76) PIK3CACYP3A4PIK3CGAKT1DYRK1A
SCHEMBL3146741 0.80 PIK3CA (0.74) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL1620239 0.80 PIK3CA (0.72) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL3140573 0.79 PIK3CA (1.00) PIK3CACYP3A4PIK3CGAKT1DYRK1A
SCHEMBL20887557 0.79 ABL1 (0.74) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL3142719 0.78 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL3136731 0.78 PIK3CA (0.78) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL1621000 0.78 PIK3CG (0.69) PIK3CACYP3A4PIK3CGAKT1MTOR

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 4 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
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 PIK3CA 1/4885CYP3A4 4192/4885PIK3CG 4/4885

“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.