SCHEMBL687680

SCHEMBL687680

CCc1cc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 4/20 0.64
MAPT P10636 10/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 10/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GLA P06280 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 4/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 2/20 0.44
APP P05067 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL686476 0.81 ILK (0.57) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL14396306 0.81 MAPT (0.70) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL687435 0.80 KDM4E (0.71) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL16245487 0.77 RAB9A (0.46) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL14395882 0.77 ILK (0.57) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5271241 0.77 HSP90AA1 (0.49) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL686897 0.76 KDM4E (0.64) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL14396046 0.76 GAA (0.41) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL715973 0.75 ILK (0.54) ILKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5333040 0.75 GAA (0.69) MAPTKMT2AMEN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 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 (5 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 2153/4885MAPT 4331/4885KMT2A 2806/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 ILK 75/4885MAPT 3140/4885KMT2A 4025/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 ILK 1603/4885MAPT 4282/4885KMT2A 4078/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885MAPT 865/4885KMT2A 4397/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885MAPT 865/4885KMT2A 4397/4885

“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.