SCHEMBL17749009

SCHEMBL17749009

CN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ccncn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 19/20 0.75
▸ CECR2 Q9BXF3 19/20 0.75
▸ BRD9 Q9H8M2 17/20 0.75
▸ BRD4 O60885 3/20 0.69
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 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
SCHEMBL17754004 0.88 TAF1 (0.69) TAF1CECR2BRD9BRD4
SCHEMBL17753867 0.87 TAF1 (0.60) TAF1CECR2BRD9BRD4
SCHEMBL17753856 0.86 TAF1 (1.00) TAF1CECR2BRD9BRD4
SCHEMBL17753977 0.84 TAF1 (0.69) TAF1CECR2BRD9BRD4
SCHEMBL17753565 0.83 TAF1 (0.69) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17753998 0.83 TAF1 (1.00) TAF1CECR2BRD9BRD4
SCHEMBL17753972 0.82 CECR2 (0.72) TAF1CECR2BRD9BRD4
SCHEMBL17753960 0.81 TAF1 (0.68) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17753938 0.81 TAF1 (0.68) TAF1CECR2BRD9BRD4
SCHEMBL17754002 0.81 TAF1 (0.77) TAF1CECR2BRD9BRD4

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 7 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-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
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO 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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