SCHEMBL890640

SCHEMBL890640

C[C@H](Nc1ncnc(N)c1C#N)c1[nH]c2ccc(F)cc2c(=O)c1-c1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CG P48736 14/20 0.85
PIK3CB P42338 13/20 0.54
PIK3CA P42336 11/20 0.54
CYP3A4 P08684 4/20 0.51
PIK3R1 P27986 2/20 0.51

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
SCHEMBL17397314 0.83 PIK3CD (0.84) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL890518 0.80 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL15437082 0.78 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2720236 0.78 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL2721472 0.78 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL13062909 0.75 PIK3CD (0.73) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL3777601 0.74 PIK3CD (0.88) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL3775621 0.74 PIK3CD (0.87) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL3781316 0.74 PIK3CD (0.87) PIK3CDPIK3CGPIK3CBPIK3CACYP3A4
SCHEMBL17397075 0.73 PIK3CD (0.80) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US claimed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CD 24/4885PIK3CG 55/4885PIK3CB 40/4885

“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.