SCHEMBL1957699

SCHEMBL1957699

CC(=O)Nc1ncc(Br)cc1CS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DYRK1A Q13627 3/20 0.36
PIK3C3 Q8NEB9 4/20 0.36
DYRK1B Q9Y463 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14231805 0.76 DYRK1A (0.39) DYRK1APIK3C3DYRK1BMAPTRAB9A
SCHEMBL11637557 0.75 MAPT (0.51) DYRK1ADYRK1BMEN1KMT2AMAPT
SCHEMBL4098480 0.73 DYRK1A (0.42) DYRK1ADYRK1BMEN1KMT2AMAPT
SCHEMBL31326188 0.73 CA1 (0.41) CA1CA2MEN1KMT2AMAPT
SCHEMBL854857 0.73 KMT2A (0.47) CA1CA2DYRK1AMEN1KMT2A
SCHEMBL1433126 0.73 DYRK1A (0.42) CA1CA2DYRK1APIK3C3DYRK1B
SCHEMBL760353 0.73 NPC1 (0.48) DYRK1ADYRK1BMEN1KMT2AMAPT
SCHEMBL1516710 0.72 DYRK1A (0.43) CA1CA2DYRK1ADYRK1BMEN1
SCHEMBL856143 0.72 CA1 (0.40) CA1CA2MEN1KMT2AMAPT
SCHEMBL11982873 0.72 DYRK1A (0.41) DYRK1ADYRK1BMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO 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-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB CA1 4085/4885CA2 1529/4885DYRK1A 753/4885

“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.