SCHEMBL3398660

SCHEMBL3398660

CNC(=O)c1sc(N2CCOCC2)c(C#N)c1I

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.48
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PIK3R1 P27986 5/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
CSF1R P07333 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL3401685 0.86 PIK3CA (0.49) PIK3CAKDM4ESMN1; SMN2ALDH1A1PIK3R1
SCHEMBL623972 0.85 PIK3CA (0.60) PIK3CAKDM4EPIK3R1GRIA2GRIA4
SCHEMBL624130 0.81 KDM4E (0.47) PIK3CAKDM4EALDH1A1GAAMAPT
SCHEMBL7996897 0.81 PIK3CA (0.46) PIK3CAKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL13597787 0.80 PIK3CA (0.50) PIK3CAKDM4EPIK3R1GRIA2GRIA4
SCHEMBL8008294 0.79 PIK3CA (0.65) PIK3CASMN1; SMN2ALDH1A1GAAPIK3R1
SCHEMBL13597812 0.78 PIK3CA (0.64) PIK3CAKDM4EALDH1A1GAAPIK3R1
SCHEMBL13596630 0.78 PIK3CA (0.45) PIK3CAKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL3427914 0.77 PIK3CA (0.78) PIK3CAKDM4EPIK3R1GRIA2GRIA4
SCHEMBL8005316 0.77 PIK3CA (0.62) 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 9 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
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 1/4885KDM4E 1172/4885SMN1; SMN2 4583/4885

“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.