SCHEMBL2396520

SCHEMBL2396520

CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
TBK1 Q9UHD2 5/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.43
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL16759532 0.86 STS (0.55) VEGFAEGLN1TP53THRBPOLB
SCHEMBL1497347 0.86 TBK1 (0.49) VEGFAEGLN1TBK1IDO1TDO2
SCHEMBL1825509 0.85 TBK1 (0.53) VEGFAEGLN1TBK1POLB
SCHEMBL29632726 0.84 TBK1 (0.46) VEGFAEGLN1TBK1IDO1TDO2
SCHEMBL12442050 0.82 VEGFA (0.50) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL5536182 0.82 VEGFA (0.68) VEGFAEGLN1TP53THRBPOLB
SCHEMBL2363123 0.82 VEGFA (0.56) VEGFAEGLN1TP53THRBIDO1
SCHEMBL5570585 0.82 VEGFA (0.50) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL13535201 0.82 VEGFA (0.47) VEGFAEGLN1TP53IDO1TDO2
SCHEMBL20567070 0.82 VEGFA (0.53) VEGFAEGLN1TP53THRBIDO1

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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B VEGFA 3891/4885EGLN1 2090/4885TBK1 369/4885

“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.