SCHEMBL2110900

SCHEMBL2110900

N#Cc1c(Br)c2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.44
▸ CNR2 P34972 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ CXCL8 P10145 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ PPME1 Q9Y570 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ AGTR1 P30556 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL31027410 0.77 HTR6 (0.46) HTR6CXCL8NOD1MEN1ALDH1A1
SCHEMBL12093313 0.75 HTR6 (0.70) HTR6SRCCXCL8NOD1LMNA
SCHEMBL6829775 0.75 AKR1C3 (0.48) HTR6SRCAKR1C3AKR1C1AGTR1
SCHEMBL10375913 0.72 HTR6 (0.50) HTR6CXCL8NOD1AGTR1LMNA
SCHEMBL20504677 0.72 AGTR1 (0.48) HTR6CXCL8NOD1AGTR1SMN1; SMN2
SCHEMBL29208197 0.70 SRC (0.39) HTR6CNR2SRC
SCHEMBL2113671 0.70 AGTR1 (0.45) HTR6SRCAGTR1MEN1KMT2A
SCHEMBL2431470 0.70 HTR6 (0.50) HTR6SRCCXCL8NOD1AKR1C3
SCHEMBL3428770 0.70 HTR6 (0.46) HTR6SRCCXCL8NOD1AKR1C3
SCHEMBL8540570 0.70 HTR6 (0.55) HTR6SRCAKR1C3AKR1C1LMNA

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 HTR6 1924/4885CNR2 135/4885SRC 202/4885

“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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