SCHEMBL17753894

SCHEMBL17753894

Cn1cc(C(=O)NCC2CCCN(C(=O)OC(C)(C)C)C2)c2cc[nH]c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.51
▸ TAF1 P21675 3/20 0.50
▸ CECR2 Q9BXF3 3/20 0.50
▸ BRD9 Q9H8M2 2/20 0.50
▸ BRD4 O60885 6/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTR6 P50406 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ METTL3 Q86U44 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ BCHE P06276 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ IRAK1 P51617 1/20 0.40

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
SCHEMBL17753908 0.95 TAF1 (0.52) ACKR3TAF1CECR2BRD9BRD4
SCHEMBL17753667 0.91 TAF1 (0.50) TAF1CECR2BRD9BRD4KDM4E
SCHEMBL17753688 0.90 KDM4E (0.55) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17753963 0.86 BRD9 (0.61) TAF1CECR2BRD9BRD4
SCHEMBL17753897 0.85 TAF1 (0.62) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17753896 0.84 TAF1 (0.52) TAF1CECR2BRD9BRD4KDM1A
SCHEMBL17753668 0.84 TAF1 (0.47) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17749004 0.83 TAF1 (0.55) TAF1CECR2BRD9BRD4JAK2
SCHEMBL17749030 0.82 TAF1 (0.61) TAF1CECR2BRD9BRD4KMT2A
SCHEMBL17753682 0.82 TAF1 (0.51) TAF1CECR2BRD9BRD4METTL3

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 4 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
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 ACKR3 1580/4885TAF1 439/4885CECR2 184/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACKR3 1580/4885TAF1 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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