SCHEMBL10010044

SCHEMBL10010044

Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.39
MTOR P42345 7/20 0.39
PIK3CG P48736 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 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
SCHEMBL15158632 0.85 MAPT (0.36) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1688170 0.81 PIK3CA (0.38) PIK3CAMTORPIK3CGKMT2AALDH1A1
SCHEMBL1708183 0.80 FFAR1 (0.39) PIK3CAMTOR
SCHEMBL1707916 0.80 MTOR (0.36) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL15494629 0.79 LMNA (0.37) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL15160053 0.79 POLB (0.38) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1708714 0.79 MTOR (0.37) PIK3CAMTORPIK3CG
SCHEMBL1708185 0.78 ALDH1A1 (0.37) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL10291211 0.78 MTOR (0.34) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1708215 0.78 ALDH1A1 (0.36) PIK3CAMTORPIK3CGMEN1KMT2A

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 1 patent. 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

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 2148/4885MTOR 1087/4885PIK3CG 2476/4885

“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.