SCHEMBL11961335

SCHEMBL11961335

COc1ccc2c(c1)c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccc(OC)nc3OC)CC1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.43
▸ PIK3CA P42336 4/20 0.42
▸ PRKDC P78527 3/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL11961753 0.85 MAPT (0.44) PARGPIK3CAPRKDCMAPTPOLB
SCHEMBL11960896 0.83 TP53 (0.43) PARGPIK3CAPRKDCMAPTPOLB
SCHEMBL11961007 0.83 ALDH1A1 (0.48) PIK3CAPRKDCMAPTPOLBLMNA
SCHEMBL11949875 0.82 TNKS (0.51) PARGMAPTPOLBNPC1LMNA
SCHEMBL11961210 0.82 PIK3CA (0.46) PARGPIK3CAPRKDCMAPTPOLB
SCHEMBL11960898 0.81 MTNR1A (0.50) PARGMAPTLMNATP53TSHR
SCHEMBL11960994 0.81 PIK3CA (0.45) PARGPIK3CAPRKDCMAPTPOLB
SCHEMBL11961802 0.81 RECQL (0.46) PARGPIK3CAPRKDCMAPTLMNA
SCHEMBL16181499 0.80 TNKS (0.46) PARGPIK3CAPRKDCMAPTPOLB
SCHEMBL11960885 0.80 TNKS (0.46) PARGPIK3CAPRKDCMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 — — US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 PARG 4747/4885PIK3CA 1566/4885PRKDC 3453/4885

“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.

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