SCHEMBL1946984

SCHEMBL1946984

CCNC(=O)Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 1.00
PIK3CG P48736 8/20 0.71
PIK3CA P42336 4/20 0.71
ABL1 P00519 10/20 0.67
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL13673230 0.89 PIK3CD (0.81) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL12565515 0.88 PIK3CD (0.78) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13673276 0.88 PIK3CD (0.78) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL12565508 0.87 PIK3CD (0.77) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL12565506 0.86 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAABL1NPC1
SCHEMBL1946980 0.86 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL12565510 0.86 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL12565512 0.86 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAABL1NPC1
SCHEMBL12543310 0.85 PIK3CG (0.76) PIK3CDPIK3CGPIK3CAABL1NPC1
SCHEMBL3710994 0.85 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135603-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110135603-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
WO-2009129211-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-22 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-20110135603-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD PIK3CD 3/4885PIK3CG 2/4885PIK3CA 1/4885

“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.