SCHEMBL1688170

SCHEMBL1688170

Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.38
PIK3R1 P27986 1/20 0.38
MTOR P42345 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
AOC3 Q16853 1/20 0.37
PTPN11 Q06124 3/20 0.37
LMNA P02545 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
NSD2 O96028 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL15494629 0.84 LMNA (0.37) PIK3CAPIK3R1MTORMAPTTP53
SCHEMBL15160053 0.84 POLB (0.38) PIK3CAMTORMAPTTP53POLB
SCHEMBL15160092 0.84 ALDH1A1 (0.40) PIK3CAMTORMAPTTP53POLB
SCHEMBL15158632 0.82 MAPT (0.36) PIK3CAMTORMAPTTP53POLB
SCHEMBL1688161 0.82 KDM4E (0.41) PIK3CAMTORMAPTTP53POLB
SCHEMBL10010044 0.81 PIK3CA (0.39) PIK3CAMTORMAPTTP53POLB
SCHEMBL13517804 0.75 LMNA (0.40) PIK3CAPIK3R1MTORMAPTTP53
SCHEMBL3717000 0.73 MAPT (0.34) PIK3CAMTORMAPTTP53POLB
SCHEMBL10291211 0.72 MTOR (0.34) PIK3CAMTORMAPTTP53POLB
SCHEMBL1708185 0.70 ALDH1A1 (0.37) PIK3CAMTORMAPTPOLBLMNA

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
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R PIK3CA 2148/4885PIK3R1 896/4885MTOR 1087/4885

“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.