SCHEMBL8008169

SCHEMBL8008169

N#Cc1c(N2CCOCC2)sc(C(=O)NCCOCCO)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.50
MTOR P42345 2/20 0.50
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3R1 P27986 1/20 0.37
F10 P00742 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL17244445 0.93 PIK3CA (0.41) PIK3CAMTORGRM5RXFP1
SCHEMBL7996257 0.92 PIK3CA (0.55) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL16705122 0.91 PIK3CA (0.52) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL8008367 0.90 PIK3CA (0.53) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL8006058 0.87 PIK3CA (0.54) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL1552132 0.87 PIK3CA (0.55) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL13597813 0.87 PIK3CA (0.54) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL8008298 0.86 PIK3CA (0.55) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL8005712 0.86 PIK3CA (0.53) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL8008105 0.86 PIK3CA (0.53) PIK3CAMTORMAPK1EGFRCDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MTOR 3/4885MAPK1 130/4885

“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.