SCHEMBL8008552

SCHEMBL8008552

CNC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.50
PIK3R1 P27986 11/20 0.44
PIK3CD O00329 4/20 0.44
PIK3CB P42338 4/20 0.44
MTOR P42345 4/20 0.44
PIK3CG P48736 4/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRNA7 P36544 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
CSF1R P07333 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL8005427 0.89 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL13597787 0.88 PIK3CA (0.50) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8006661 0.88 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8008294 0.85 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8006287 0.84 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL13597858 0.82 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL13597812 0.80 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8005706 0.80 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL8008381 0.80 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL3427914 0.79 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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 1/4885PIK3R1 4/4885PIK3CD 9/4885

“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.