SCHEMBL2674372

SCHEMBL2674372

Cc1ccc(Br)n2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CDK8 P49336 2/20 0.38
ROCK1 Q13464 2/20 0.38
FLT1 P17948 1/20 0.38
CDK9 P50750 1/20 0.38
LIMK1 P53667 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IDO1 P14902 2/20 0.37
SSTR4 P31391 1/20 0.36
ADORA2A P29274 3/20 0.33
IKBKB O14920 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
PDE5A O76074 1/20 0.32
PDE9A O76083 1/20 0.32
PDE8B O95263 1/20 0.32
PDE6A P16499 1/20 0.32

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
SCHEMBL11910983 0.79 IDO1 (0.36) L3MBTL1CDK8ROCK1IDO1ADORA2A
SCHEMBL12653259 0.79 SSTR4 (0.41) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL18643298 0.76 SSTR4 (0.36) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL21948952 0.76 ADORA2A (0.39) L3MBTL1CDK8ROCK1IDO1ADORA2A
SCHEMBL10133967 0.76 SSTR4 (0.36) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL25114905 0.76 SMN1; SMN2 (0.38) L3MBTL1GAAPDE5APDE6APDE1B
SCHEMBL11167256 0.74 L3MBTL1 (0.44) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL8829236 0.72 IDO1 (0.37) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL22814501 0.72 L3MBTL1 (0.42) L3MBTL1CDK8ROCK1FLT1CDK9
SCHEMBL23029997 0.72 PIK3CG (0.36) L3MBTL1CDK8ROCK1FLT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD L3MBTL1 4145/4885CDK8 110/4885ROCK1 3687/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD L3MBTL1 4127/4885CDK8 109/4885ROCK1 3632/4885

“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.