SCHEMBL8008294

SCHEMBL8008294

CNC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.65
GRIA2 P42262 1/20 0.51
GRIA4 P48058 1/20 0.51
PIK3R1 P27986 9/20 0.49
ADORA2A P29274 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNA7 P36544 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MTOR P42345 4/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43

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
SCHEMBL13597812 0.90 PIK3CA (0.64) PIK3CAGRIA2GRIA4PIK3R1CHRNA7
SCHEMBL8005316 0.89 PIK3CA (0.62) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL3427914 0.89 PIK3CA (0.78) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL8011651 0.89 PIK3CA (0.81) PIK3CAGRIA2GRIA4PIK3R1ADORA2A
SCHEMBL7998206 0.87 PIK3CA (0.60) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL8006661 0.85 PIK3CA (0.55) PIK3CAGRIA2GRIA4PIK3R1HSD17B10
SCHEMBL8008552 0.85 PIK3CA (0.50) PIK3CAGRIA2GRIA4PIK3R1HSD17B10
SCHEMBL13597787 0.85 PIK3CA (0.50) PIK3CAGRIA2GRIA4PIK3R1HSD17B10
SCHEMBL8006452 0.84 PIK3CA (0.49) PIK3CAGRIA2GRIA4PIK3R1HSD17B10
SCHEMBL8006287 0.83 PIK3CA (0.56) PIK3CAGRIA2GRIA4PIK3R1MTOR

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
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 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-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR PIK3CA 1/4885GRIA2 2570/4885GRIA4 2350/4885

“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.