SCHEMBL687834

SCHEMBL687834

COc1cc2sc(/C(C#N)=C(\OC(=O)c3ccco3)c3ccco3)nc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
KMT2A Q03164 7/20 0.45
NPC1 O15118 7/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
ILK Q13418 1/20 0.40
TSHR P16473 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
PLEC Q15149 1/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 1/20 0.37
APOBEC3A P31941 1/20 0.37

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
SCHEMBL687835 1.00 RAB9A (0.45) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL687807 0.85 RAB9A (0.63) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL687808 0.85 RAB9A (0.63) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL686416 0.84 RAB9A (0.48) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL686417 0.84 RAB9A (0.48) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL687736 0.82 MAPT (0.66) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL687737 0.82 MAPT (0.66) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL694944 0.73 ILK (0.42) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL686796 0.73 THRB (0.42) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL687453 0.63 MAPT (1.00) RAB9AKMT2ANPC1MAPTMEN1

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 11 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
EP-1542997-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, Inc. (CA) 2005-06-22 EP disclosed
WO-2004011460-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, INC. (CA) 2004-02-05 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 (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 RAB9A 4041/4885KMT2A 2806/4885NPC1 4326/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 RAB9A 2638/4885KMT2A 4078/4885NPC1 3923/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH RAB9A 3096/4885KMT2A 4397/4885NPC1 404/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH RAB9A 3096/4885KMT2A 4397/4885NPC1 404/4885

“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.