SCHEMBL17753565

SCHEMBL17753565

Cn1cc(C(=O)NC2CCN(c3ccncn3)CC2)c2cc[nH]c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 10/20 0.69
▸ CECR2 Q9BXF3 10/20 0.69
▸ BRD9 Q9H8M2 9/20 0.69
▸ BRD4 O60885 9/20 0.46
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ATAD2 Q6PL18 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
SCHEMBL17754000 0.88 TAF1 (0.70) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17753825 0.87 TAF1 (0.69) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17753958 0.85 TAF1 (0.74) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17754073 0.84 TAF1 (0.69) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17749009 0.83 TAF1 (0.75) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17753909 0.82 TAF1 (1.00) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17753677 0.81 BRD9 (0.71) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17753571 0.81 TAF1 (0.68) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL17753805 0.81 TAF1 (0.68) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17749032 0.81 CECR2 (0.77) TAF1CECR2BRD9BRD4JAK1

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 TAF1 439/4885CECR2 184/4885BRD9 16/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TAF1 439/4885CECR2 184/4885BRD9 16/4885

“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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