SCHEMBL1593280

SCHEMBL1593280

Cc1ccc(S(=O)(=O)n2nc(Br)c3cccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.48
CKS1B P61024 1/20 0.43
SKP2 Q13309 1/20 0.43
COMT P21964 2/20 0.43
MAPT P10636 1/20 0.43
HSD11B1 P28845 2/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC9A1 P19634 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30720200 1.00 L3MBTL1 (0.51) L3MBTL1PTGDR2CKS1BSKP2COMT
SCHEMBL29468196 0.79 SLC9A1 (0.54) L3MBTL1MAPTNR1H2NR1H3KMT2A
SCHEMBL24330076 0.79 SLC9A1 (0.54) L3MBTL1MAPTNR1H2NR1H3KMT2A
SCHEMBL1593632 0.78 MAPT (0.49) MAPTNR1H2NR1H3KMT2AMEN1
SCHEMBL15799504 0.76 MAPT (0.41) L3MBTL1PTGDR2MAPTHSD11B1NR1H2
SCHEMBL1593721 0.76 PTGDR2 (0.47) L3MBTL1PTGDR2COMTMAPTHSD11B1
SCHEMBL20576441 0.76 PTGDR2 (0.63) L3MBTL1PTGDR2CKS1BSKP2COMT
SCHEMBL29605109 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2CKS1BSKP2COMT
SCHEMBL1668563 0.76 L3MBTL1 (0.58) L3MBTL1PTGDR2CKS1BSKP2COMT
SCHEMBL29604855 0.76 PTGDR2 (0.63) L3MBTL1PTGDR2CKS1BSKP2COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327057-A Triazine diketone compound as thyroid hormone receptor agonist and synthesis and application thereof 南京雷正医药科技有限公司 2024-01-02 CN disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 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-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA L3MBTL1 2857/4885PTGDR2 1239/4885CKS1B 470/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF L3MBTL1 1765/4885PTGDR2 2285/4885CKS1B 82/4885

“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.