SCHEMBL17552913

SCHEMBL17552913

COc1cc2c3c(cnc2cc1-c1cnoc1)CC(=O)N3[C@H](C)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.45
BRD2 P25440 3/20 0.44
BRD3 Q15059 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CACNA1A O00555 1/20 0.44
CHRNA1 P02708 1/20 0.44
CYP2D6 P10635 1/20 0.44
CCL2 P13500 1/20 0.44
KCNA5 P22460 1/20 0.44
TACR1 P25103 1/20 0.44
MAOB P27338 1/20 0.44
CYP2C19 P33261 1/20 0.44
AVPR1A P37288 1/20 0.44
PDE4B Q07343 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
BRDT Q58F21 1/20 0.44
CREBBP Q92793 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44

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
SCHEMBL17051097 0.82 BRD4 (0.66) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL17169738 0.79 BRD4 (0.69) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15980709 0.75 BRD4 (0.57) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL17854804 0.70 BRD4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15980726 0.67 BRD4 (0.58) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL21516829 0.67 BRD4 (0.46) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL21477215 0.66 BRD4 (0.52) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18258232 0.64 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249916 0.61 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18258270 0.61 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
US-9938302-B2 Chimeric compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-04-10 US disclosed
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2017-11-23 US disclosed
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2016-09-22 US disclosed
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2016-03-03 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 (7 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 BRD4 454/4885BRD2 375/4885BRD3 355/4885
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N BRD4 464/4885BRD2 430/4885BRD3 381/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 BRD4 1090/4885BRD2 3439/4885BRD3 2110/4885
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP BRD4 460/4885BRD2 870/4885BRD3 656/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 BRD4 1090/4885BRD2 3439/4885BRD3 2110/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 BRD4 454/4885BRD2 375/4885BRD3 355/4885
US-20170334932-A1 CHIMERIC COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF IKZF3, IKZF1, CKS1B BRD4 3385/4885BRD2 4275/4885BRD3 3417/4885

“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.