SCHEMBL2988973

SCHEMBL2988973

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccc(-c3cccnc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
PIK3CB P42338 3/20 0.46
MTOR P42345 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CD O00329 2/20 0.46
CLK1 P49759 2/20 0.46
CLK2 P49760 2/20 0.46
DYRK1A Q13627 2/20 0.46
GAK O14976 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK10 O94804 1/20 0.46
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
MAP2K2 P36507 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1G2 P78368 1/20 0.46
MAP2K1 Q02750 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46

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
SCHEMBL2988979 1.00 PIK3CA (0.46) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL4586141 0.91 PIK3CA (0.48) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL4586138 0.91 PIK3CA (0.48) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL2988701 0.90 PIK3CA (0.57) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL2988707 0.90 PIK3CA (0.57) PIK3CAPIK3CBMTORPIK3CGPIK3CD
Trifluoroacetic Acid SCHEMBL2990644 0.86 PIK3CA (0.43) PIK3CAPIK3CBMTORPIK3CGPIK3CD
Trifluoroacetic Acid SCHEMBL2990638 0.86 PIK3CA (0.43) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL2993530 0.86 CLK1 (0.41) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL2993535 0.86 CLK1 (0.41) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL2985291 0.85 CISD1 (0.40) PIK3CAPIK3CBMTORPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US 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 (2 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 PIK3CA 2140/4885PIK3CB 1480/4885MTOR 2190/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 PIK3CA 2762/4885PIK3CB 3446/4885MTOR 362/4885

“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.