SCHEMBL17754065

SCHEMBL17754065

COc1ccc(CNC(=O)c2cn(C)c(=O)c3[nH]ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.53
▸ BRD4 O60885 5/20 0.53
▸ TP53 P04637 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 1/20 0.52
▸ BRD9 Q9H8M2 2/20 0.51
▸ TAF1 P21675 1/20 0.51
▸ CECR2 Q9BXF3 1/20 0.51
▸ HDAC1 Q13547 1/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ USP2 O75604 1/20 0.47

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
SCHEMBL17754058 0.87 BRD4 (0.55) PDE10ABRD4MAPTLMNABRD9
SCHEMBL17754063 0.86 BRD4 (0.71) PDE10ABRD4TP53MAPTLMNA
SCHEMBL17753776 0.84 BRD4 (0.54) BRD4BRD9TAF1CECR2
SCHEMBL17753671 0.77 BRD4 (0.52) BRD4LMNABRD9TAF1CECR2
SCHEMBL17754069 0.76 ALDH1A1 (0.51) BRD4TP53MAPTLMNABRD9
SCHEMBL17754064 0.76 BRD9 (0.55) BRD4BRD9TAF1CECR2ADORA2A
SCHEMBL17748992 0.75 CECR2 (0.57) BRD4BRD9TAF1CECR2
SCHEMBL17754174 0.74 CECR2 (0.59) BRD4BRD9TAF1CECR2
SCHEMBL12821472 0.74 HDAC1 (0.61) TP53LMNAHDAC1ADORA2AADORA1
SCHEMBL17749030 0.73 TAF1 (0.61) PDE10ABRD4BRD9TAF1CECR2

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 PDE10A 1615/4885BRD4 1/4885TP53 1133/4885

“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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