SCHEMBL7996491

SCHEMBL7996491

CC(O)CNC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.56
P2RX7 Q99572 2/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
PIK3R1 P27986 5/20 0.40
MTOR P42345 3/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL8008222 0.92 PIK3CA (0.54) PIK3CAP2RX7GRIA2GRIA4PIK3R1
SCHEMBL7996495 0.88 PIK3CA (0.56) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL8006482 0.87 PIK3CA (0.58) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL16705124 0.86 PIK3CA (0.52) PIK3CAP2RX7GRIA2GRIA4PIK3R1
SCHEMBL7996116 0.86 PIK3CA (0.52) PIK3CAP2RX7GRIA2GRIA4PIK3R1
SCHEMBL8008066 0.86 PIK3CA (0.52) PIK3CAP2RX7GRIA2GRIA4PIK3R1
SCHEMBL3403807 0.84 PIK3CA (0.78) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL3404237 0.83 PIK3CA (0.79) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL3402838 0.82 PIK3CA (0.58) PIK3CAGRIA2GRIA4PIK3R1MTOR
SCHEMBL13597818 0.80 PIK3CA (0.43) PIK3CAP2RX7GRIA2GRIA4PIK3R1

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 1/4885P2RX7 361/4885GRIA2 2570/4885

“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.