SCHEMBL3708484

SCHEMBL3708484

Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.62
EPHX2 P34913 1/20 0.62
PIK3CD O00329 13/20 0.62
PIK3CA P42336 13/20 0.62
PI4KA P42356 13/20 0.62
PI4KB Q9UBF8 13/20 0.62
PIK3CG P48736 11/20 0.62
PIK3CB P42338 10/20 0.62
PIP5K1C O60331 5/20 0.59
ALKBH5 Q6P6C2 1/20 0.50
FTO Q9C0B1 1/20 0.50
KCNH2 Q12809 1/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
Hydrochloric Acid SCHEMBL1127383 0.99 SCN4A (0.61) SCN4AEPHX2PIK3CDPIK3CAPI4KA
SCHEMBL17969171 0.84 SCN4A (0.77) SCN4AEPHX2PIK3CDPIK3CAPI4KA
SCHEMBL31114667 0.83 SCN4A (0.70) SCN4AEPHX2PIK3CDPIK3CAPI4KA
SCHEMBL25256553 0.83 SCN4A (0.70) SCN4AEPHX2PIK3CDPIK3CAPI4KA
SCHEMBL25303323 0.79 PI4KA (0.72) PIK3CDPIK3CAPI4KAPI4KBPIK3CG
SCHEMBL12543471 0.79 PI4KA (0.66) PIK3CDPIK3CAPI4KAPI4KBPIK3CG
SCHEMBL29646253 0.79 PIK3CA (0.82) PIK3CDPIK3CAPI4KAPI4KBPIK3CG
SCHEMBL5532470 0.79 PIK3CA (0.82) PIK3CDPIK3CAPI4KAPI4KBPIK3CG
SCHEMBL1417399 0.78 SCN4A (1.00) SCN4AEPHX2PIK3CDPIK3CAPI4KA
SCHEMBL10084977 0.78 PIK3CD (0.55) PIK3CDPIK3CAPI4KAPI4KBPIK3CG

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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO 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 SCN4A 3394/4885EPHX2 3144/4885PIK3CD 3/4885

“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.