SCHEMBL11960994

SCHEMBL11960994

COc1ccc2c(c1)c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccon3)CC1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.45
▸ PRKDC P78527 4/20 0.45
▸ PARG Q86W56 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTOR P42345 1/20 0.39
▸ ABL1 P00519 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
SCHEMBL13195112 0.91 PIK3CA (0.49) PIK3CAPRKDCPOLBTDP1TP53
SCHEMBL11960898 0.85 MTNR1A (0.50) PARGTDP1MAPTLMNATP53
SCHEMBL11960896 0.85 TP53 (0.43) PIK3CAPRKDCPARGPOLBMAPT
SCHEMBL11949875 0.84 TNKS (0.51) PARGPOLBMAPTNPC1LMNA
SCHEMBL16181499 0.82 TNKS (0.46) PIK3CAPRKDCPARGPOLBTDP1
SCHEMBL11960885 0.82 TNKS (0.46) PIK3CAPRKDCPARGPOLBTDP1
SCHEMBL11961753 0.82 MAPT (0.44) PIK3CAPRKDCPARGPOLBMAPT
SCHEMBL11960887 0.81 FAAH (0.43) PIK3CAPRKDCPARGPOLBMAPT
SCHEMBL11960997 0.81 POLB (0.47) PIK3CAPRKDCPARGPOLBTDP1
SCHEMBL11961335 0.81 PARG (0.43) PIK3CAPRKDCPARGPOLBTDP1

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 PIK3CA 1566/4885PRKDC 3453/4885PARG 4747/4885

“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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