SCHEMBL17753671

SCHEMBL17753671

Cn1cc(C(=O)NCc2cccc3ccccc23)c2cc[nH]c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.52
▸ TAF1 P21675 3/20 0.50
▸ CECR2 Q9BXF3 3/20 0.50
▸ BRD9 Q9H8M2 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ F12 P00748 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ P2RX7 Q99572 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ EZH2 Q15910 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 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
SCHEMBL17754063 0.85 BRD4 (0.71) BRD4TAF1CECR2BRD9ALDH1A1
SCHEMBL21227715 0.84 BRD4 (0.51) BRD4MEN1KMT2AALDH1A1CHRNB2
SCHEMBL17754058 0.79 BRD4 (0.55) BRD4TAF1CECR2BRD9MEN1
SCHEMBL17753664 0.79 CECR2 (0.53) BRD4TAF1CECR2BRD9MEN1
SCHEMBL17754065 0.77 PDE10A (0.53) BRD4TAF1CECR2BRD9LMNA
SCHEMBL17754069 0.77 ALDH1A1 (0.51) BRD4TAF1CECR2BRD9MEN1
SCHEMBL17754064 0.77 BRD9 (0.55) BRD4TAF1CECR2BRD9ALDH1A1
SCHEMBL17753776 0.77 BRD4 (0.54) BRD4TAF1CECR2BRD9EZH2
SCHEMBL17748992 0.74 CECR2 (0.57) BRD4TAF1CECR2BRD9SMN1; SMN2
SCHEMBL17754174 0.73 CECR2 (0.59) BRD4TAF1CECR2BRD9EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 BRD4 1/4885TAF1 439/4885CECR2 184/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 BRD4 1/4885TAF1 439/4885CECR2 184/4885

“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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