SCHEMBL3402838

SCHEMBL3402838

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.58
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
PIK3R1 P27986 2/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL3398626 0.86 PIK3CA (0.58) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL3403807 0.85 PIK3CA (0.78) PIK3CAGRIA2GRIA4ALDH1A1MEN1
SCHEMBL3404237 0.84 PIK3CA (0.79) PIK3CAGRIA2GRIA4MEN1KMT2A
SCHEMBL1550834 0.84 PIK3CA (0.55) PIK3CAFNTAFNTBKDM4EMEN1
SCHEMBL622984 0.83 PIK3CA (0.43) PIK3CAFNTAFNTBKDM4EALDH1A1
SCHEMBL7996491 0.82 PIK3CA (0.56) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL7996495 0.82 PIK3CA (0.56) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL8008222 0.81 PIK3CA (0.54) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL8006482 0.81 PIK3CA (0.58) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL622983 0.81 PIK3CA (0.43) PIK3CAFNTAFNTBKDM4EALDH1A1

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 8 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-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
EP-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 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
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 1/4885FNTA 3475/4885FNTB 3949/4885

“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.