SCHEMBL17806331

SCHEMBL17806331

CNC(=O)c1ccc(-c2cc3c(cc2C#N)N(C(C)C)CCC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.43
BRD4 O60885 2/20 0.43
USP30 Q70CQ3 1/20 0.41
AR P10275 5/20 0.40
OTUD7B Q6GQQ9 2/20 0.40
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
CYP11B2 P19099 2/20 0.39
KDM1A O60341 2/20 0.38
SCD O00767 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL17809596 0.87 CREBBP (0.43) CREBBPBRD4USP30AROTUD7B
SCHEMBL17806301 0.87 CREBBP (0.45) CREBBPBRD4USP30OTUD7BCYP11B2
SCHEMBL19368909 0.86 ABL1 (0.36) CREBBPBRD4USP30ARFGFR4
SCHEMBL19368908 0.85 CREBBP (0.36) CREBBPUSP30CYP11B2PIK3CA
SCHEMBL19368895 0.85 CREBBP (0.58) CREBBPBRD4
SCHEMBL17806286 0.84 CYP11B2 (0.37) CYP11B2FGFR4
SCHEMBL19369015 0.84 OTUD7B (0.46) CREBBPBRD4USP30OTUD7BCYP11B2
SCHEMBL19368737 0.83 CREBBP (0.42) CREBBPBRD4USP30OTUD7BCYP11B2
SCHEMBL17806320 0.83 FGFR4 (0.40) CYP11B2SCDFGFR4
SCHEMBL17806288 0.83 GPR119 (0.40) USP30CYP11B2KDM1A

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 5 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-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
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US 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 11/4885USP30 2156/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CREBBP 6/4885BRD4 11/4885USP30 2156/4885

“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.