SCHEMBL1497347

SCHEMBL1497347

CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.49
PIK3CD O00329 4/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MGLL Q99685 3/20 0.43
ABHD6 Q9BV23 2/20 0.43
PLA2G7 Q13093 1/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PIK3CA P42336 2/20 0.42
AKR1C3 P42330 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL2396520 0.86 VEGFA (0.50) TBK1MGLLABHD6PLA2G7VEGFA
SCHEMBL1497394 0.83 SMN1; SMN2 (0.49) USP2SMN1; SMN2PIK3CAGPR119
SCHEMBL3997637 0.81 PIK3CA (0.53) PIK3CDUSP2SMN1; SMN2PIK3CA
SCHEMBL18153347 0.81 PIK3CA (0.53) PIK3CDUSP2SMN1; SMN2PIK3CA
SCHEMBL29434915 0.81 PIK3CA (0.53) PIK3CDUSP2SMN1; SMN2PIK3CA
SCHEMBL3592524 0.81 PIK3CD (0.49) TBK1PIK3CDUSP2SMN1; SMN2MGLL
SCHEMBL21792960 0.81 CKS1B (0.46) SMN1; SMN2
SCHEMBL24851269 0.80 USP2 (0.54) PIK3CDUSP2SMN1; SMN2PIK3CAGPR119
SCHEMBL18210853 0.80 SMN1; SMN2 (0.54) USP2SMN1; SMN2VEGFAEGLN1AKR1C3
SCHEMBL3605038 0.80 USP2 (0.48) PIK3CDUSP2SMN1; SMN2PIK3CAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP 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
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
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 TBK1 369/4885PIK3CD 5/4885USP2 1704/4885

“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.