SCHEMBL687726

SCHEMBL687726

O=S(=O)(Cl)c1cccc2sc(-c3cn[nH]c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.53
NAMPT P43490 1/20 0.36
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
APP P05067 1/20 0.33
ROCK2 O75116 5/20 0.32
CHEK1 O14757 1/20 0.32
S1PR1 P21453 1/20 0.32
AGPAT2 O15120 1/20 0.31
SCN9A Q15858 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL687115 0.87 ILK (0.56) ILKNAMPTAKT1AKT2APP
SCHEMBL687581 0.72 ILK (0.77) ILKROCK2MAPT
SCHEMBL10570853 0.71 ALDH1A1 (0.50) MAPTMAPK1
SCHEMBL2701422 0.70 HSD11B1 (0.40) MAPT
SCHEMBL686969 0.70 ILK (1.00) ILKNAMPTAKT1AKT2APP
SCHEMBL687451 0.69 ILK (0.46) ILK
SCHEMBL687699 0.64 ILK (1.00) ILK
SCHEMBL28971554 0.63 AKT2 (0.53) ILKAKT1AKT2ROCK2
SCHEMBL3739722 0.60 ALDH1A1 (0.42)
SCHEMBL3503184 0.60 PKLR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 US disclosed
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 US disclosed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US disclosed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 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 (4 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-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors TST, PTK2, PTK2B ILK 2153/4885NAMPT 1125/4885AKT1 79/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 ILK 1603/4885NAMPT 1926/4885AKT1 1382/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885NAMPT 383/4885AKT1 3023/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885NAMPT 383/4885AKT1 3023/4885

“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.