SCHEMBL2111547

SCHEMBL2111547

Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
HTR6 P50406 1/20 0.46
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36
BRD4 O60885 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
SCHEMBL23330894 0.89 L3MBTL1 (0.43) L3MBTL1HTR6ELANEMEN1KMT2A
SCHEMBL25358569 0.86 HTR6 (0.61) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL3051164 0.85 HTR6 (0.46) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL25244266 0.85 HTR6 (0.46) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL21919934 0.85 GABRG2 (0.48) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL29374710 0.84 L3MBTL1 (0.57) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL1055676 0.84 L3MBTL1 (0.57) L3MBTL1HTR6MEN1KMT2APIM1
SCHEMBL29992688 0.84 AKR1C3 (0.47) L3MBTL1HTR6MEN1KMT2AMAPT
SCHEMBL29992656 0.84 AKR1C3 (0.47) L3MBTL1HTR6MEN1KMT2AMAPT
SCHEMBL1357445 0.84 AKR1C3 (0.47) L3MBTL1HTR6MEN1KMT2AMAPT

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
EP-2451811-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-05-16 EP disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
WO-2010136491-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2010-12-02 WO disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE 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 (1 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-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 L3MBTL1 4139/4885HTR6 1924/4885ELANE 4570/4885

“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.