SCHEMBL687268

SCHEMBL687268

CS/C(Nc1ccc(NC(C)=O)cc1)=C(/C#N)c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ RAB9A P51151 12/20 0.52
▸ NPC1 O15118 11/20 0.52
▸ MAPT P10636 11/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ PKM P14618 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ GAA P10253 1/20 0.47

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
SCHEMBL687269 1.00 THRB (0.59) THRBRECQLRAB9ANPC1MAPT
SCHEMBL686569 0.76 RECQL (0.77) THRBRECQLRAB9ANPC1MAPT
SCHEMBL7105704 0.72 RAB9A (0.74) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL29636830 0.72 RAB9A (0.74) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL569032 0.72 ALDH1A1 (0.67) THRBRECQLRAB9ANPC1MAPT
SCHEMBL8123280 0.71 KMT2A (0.54) RECQLRAB9ANPC1MAPTMEN1
SCHEMBL7548719 0.69 ALOX5 (0.68) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL16383909 0.69 MAPT (0.77) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7544458 0.69 NPC1 (0.79) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6877470 0.69 NPC1 (1.00) RAB9ANPC1MAPTMEN1KMT2A

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 THRB 1160/4885RECQL 3838/4885RAB9A 4041/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 THRB 3926/4885RECQL 245/4885RAB9A 2638/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH THRB 2762/4885RECQL 311/4885RAB9A 3096/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH THRB 2762/4885RECQL 311/4885RAB9A 3096/4885

“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.

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