SCHEMBL17809797

SCHEMBL17809797

CN1CCCc2c1ccc(-c1cnn(C)c1)c2F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 12/20 0.39
▸ BRD4 O60885 5/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ WDR5 P61964 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ EP300 Q09472 1/20 0.35

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
SCHEMBL17809602 0.92 BRD4 (0.41) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17806246 0.85 CREBBP (0.37) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17806240 0.79 CREBBP (0.38) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17809615 0.76 BRD4 (0.38) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17794805 0.73 BRD4 (0.43) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17809572 0.73 CREBBP (0.50) CREBBPBRD4EP300
SCHEMBL17809532 0.72 GRM5 (0.39) CREBBPBRD4ROCK2ROCK1CDC42BPB
SCHEMBL17785761 0.72 GPR119 (0.44) CREBBPBRD4LRRK2
SCHEMBL23055771 0.71 GRM5 (0.45) CREBBPBRD4
SCHEMBL17785702 0.71 AURKA (0.40) CREBBPBRD4ROCK2ROCK1CDC42BPB

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 — — WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — US 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885BRD4 11/4885ROCK2 2944/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885BRD4 11/4885ROCK2 2944/4885

“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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