SCHEMBL17680939

SCHEMBL17680939

CN/C=C(\C=N)c1cc2c(cc1C#N)N(c1cccc3c1N[C@H](C)CC(=O)N3)CC2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.71
▸ CREBBP Q92793 20/20 0.71

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
SCHEMBL17681006 0.96 CREBBP (0.71) BRD4CREBBP
SCHEMBL17680936 0.89 BRD4 (0.72) BRD4CREBBP
SCHEMBL17680934 0.87 CREBBP (0.71) BRD4CREBBP
SCHEMBL22368984 0.87 CREBBP (0.53) BRD4CREBBP
SCHEMBL17680935 0.85 CREBBP (0.69) BRD4CREBBP
SCHEMBL24269221 0.83 CREBBP (0.72) BRD4CREBBP
SCHEMBL17680945 0.83 CREBBP (0.72) BRD4CREBBP
SCHEMBL22369242 0.83 CREBBP (0.54) BRD4CREBBP
SCHEMBL17681011 0.81 CREBBP (0.69) BRD4CREBBP
SCHEMBL17680968 0.81 CREBBP (0.69) BRD4CREBBP

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-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 BRD4 18/4885CREBBP 2/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 BRD4 18/4885CREBBP 2/4885

“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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