SCHEMBL7996897

SCHEMBL7996897

C=C(C)c1c(C(=O)NC)sc(N2CCOCC2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.46
PIK3R1 P27986 5/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3398660 0.81 PIK3CA (0.48) PIK3CAPIK3R1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8008294 0.76 PIK3CA (0.65) PIK3CAPIK3R1ALDH1A1SMN1; SMN2GAA
SCHEMBL13597812 0.75 PIK3CA (0.64) PIK3CAPIK3R1KDM4EALDH1A1GAA
SCHEMBL13596630 0.75 PIK3CA (0.45) PIK3CAPIK3R1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8005316 0.74 PIK3CA (0.62) PIK3CAPIK3R1GRIA2GRIA4PIK3CD
SCHEMBL3427914 0.74 PIK3CA (0.78) PIK3CAPIK3R1KDM4EGRIA2GRIA4
SCHEMBL13597787 0.73 PIK3CA (0.50) PIK3CAPIK3R1KDM4EGRIA2GRIA4
SCHEMBL8006661 0.73 PIK3CA (0.55) PIK3CAPIK3R1KDM4EALDH1A1GAA
SCHEMBL17244520 0.73 PIK3CA (0.48) PIK3CAPIK3R1GRIA2GRIA4PIK3CD
SCHEMBL7998206 0.73 PIK3CA (0.60) PIK3CAPIK3R1GRIA2GRIA4PIK3CD

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 4/4885KDM4E 1172/4885

“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.